Physical property space - Revision history

Frodo: asdf

2015-09-28T18:53:52Z

asdf

← Older revision		Revision as of 18:53, 28 September 2015
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	* First dimension is molecular weight (rows).		* First dimension is molecular weight (rows).
	* Second demintion is the xlogp (columns).		* Second demintion is the xlogp (columns).
	* See [zinc15.docking.org/tranches/home zinc15.docking.org/tranches/home]		* See [http://zinc15.docking.org/tranches/home zinc15.docking.org/tranches/home]
	{\| class="wikitable"		{\| class="wikitable"
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Frodo: asdf

2015-09-28T18:53:28Z

asdf

← Older revision		Revision as of 18:53, 28 September 2015
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	= Property Space =		= Property Space =
			* First dimension is molecular weight (rows).
	~~fist demintion~~ is molecular weight (rows).		* Second demintion is the xlogp (columns).
			* See [zinc15.docking.org/tranches/home zinc15.docking.org/tranches/home]
	~~second~~ demintion is the xlogp (columns).

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	= Secondary axes =		= Secondary axes =
			* Third: Reactivity. A - "clean", B weakly reactive # C strong nucleophile, D strong electrophile, E = other/unknown problems(e.g. suspected aggregator).

	* ~~Third~~: ~~ph_mod_fk # 0 = ref, gs, ph 7.4 ; 1 = mid, gs, additional, ph 7 - 8 # 2 = lo, gs, ph 6.4 ish ; 3 = hi, gs, ph 8.4 ish ; 4 = hei; 5 = covalent~~		* Fourth: Purchasability: AB - in stock C - agent - D on demand - E boutique F not for sale (annotated)

	* fourth: A - ~~"clean", B weakly reactive #~~ C ~~strong nucleophile,~~ D ~~strong electrophile,~~ E ~~= other/unknown problems~~(~~e.g. suspected aggregator~~).

	* ~~fifth~~ ~~ABC~~ - ~~in stock - D on demand E boutique F not for sale~~		* Fifth: ph_mod_fk # R = ref, gs, ph 7.4 ; M = mid, gs, additional, ph 7 - 8 # L = lo, gs, ph 6.4 ish ; H = hi, gs, ph 8.4 ish ; C=covalent (reserved)

	* ~~sixth -~~ charge # A <= -2 ; B = -1 ; C = 0 ; D = +1 ; E = >= 2		* Sixth charge # L <= -2 ; M = -1 ; N = 0 ; O = +1 ; P = >= 2 (mnemonic: like InChIkey suffix)

	[[Category:ZINC15]]		[[Category:ZINC15]]

Frodo: /* Commonly used */ dfg

2015-09-28T18:50:18Z

Commonly used: dfg

← Older revision		Revision as of 18:50, 28 September 2015
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	~~= Commonly used =~~

	* frag-like:
	* lead-like:
	* drug-like:

	= Property Space =		= Property Space =

Frodo: /* Property Space */

2015-03-20T20:30:21Z

Property Space

← Older revision		Revision as of 20:30, 20 March 2015
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	{\| class="wikitable"		{\| class="wikitable"
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	! \|\| \|\| A \|\| B \|\| C \|\| D \|\| E \|\| F \|\| G \|\| H \|\| I \|\| J \|\| K		! \|\| \|\| A \|\| B \|\| C \|\| D \|\| E \|\| F \|\| G \|\| H \|\| I \|\| J \|\| K
	\|-		\|-
	! \|\| \|\| <-1 \|\| -1 - 0 \|\| 0 - 1 \|\| 1 - 2 \|\| 2 - 2.5 \|\| 2.5 - 3 \|\| 3 - 3.5 \|\| 3.5 - 4 \|\| 4 - 4.5 \|\| 4.5 - 5 \|\| > 5		! \|\| \|\| <-1 \|\| -1 - 0 \|\| 0 - 1 \|\| 1 - 2 \|\| 2 - 2.5 \|\| 2.5 - 3 \|\| 3 - 3.5 \|\| 3.5 - 4 \|\| 4 - 4.5 \|\| 4.5 - 5 \|\| > 5
	\|-		\|-
	\| A \|\| < 200 \|\| AA \|\| AB \|\| AC \|\| AD \|\| AE \|\| AF \|\| AG \|\| AH \|\| AI \|\| AJ \|\| AK		\| A \|\| < 200 \|\| AA \|\| AB \|\| AC \|\| AD \|\| AE \|\| AF \|\| AG \|\| AH \|\| AI \|\| AJ \|\| AK
	\|-		\|-
	\| B \|\| 200 - 250 \|\| BA \|\| BB \|\| BC \|\| BD \|\| BE \|\| BF \|\| BG \|\| BH \|\| BI \|\| BJ \|\| BK		\| B \|\| 200 - 250 \|\| BA \|\| BB \|\| BC \|\| BD \|\| BE \|\| BF \|\| BG \|\| BH \|\| BI \|\| BJ \|\| BK
	\|-		\|-
	\| C \|\| 250 - 300 \|\| CA \|\| CB \|\| CC \|\| CD \|\| CE \|\| CF \|\| CG \|\| CH \|\| CI \|\| CJ \|\| CK		\| C \|\| 250 - 300 \|\| CA \|\| CB \|\| CC \|\| CD \|\| CE \|\| CF \|\| CG \|\| CH \|\| CI \|\| CJ \|\| CK

TBalius: /* Property Space */

2015-03-19T22:49:00Z

Property Space

← Older revision		Revision as of 22:49, 19 March 2015
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	= Property Space =		= Property Space =

			fist demintion is molecular weight (rows).

			second demintion is the xlogp (columns).

	{\| class="wikitable"		{\| class="wikitable"
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	\| K \|\| > 500 \|\| KA \|\| KB \|\| KC \|\| KD \|\| KE \|\| KF \|\| KG \|\| KH \|\| KI \|\| KJ \|\|KK		\| K \|\| > 500 \|\| KA \|\| KB \|\| KC \|\| KD \|\| KE \|\| KF \|\| KG \|\| KH \|\| KI \|\| KJ \|\|KK
	\|}		\|}



	= Secondary axes =		= Secondary axes =

Frodo: asdf

2015-03-10T23:01:20Z

asdf

@@ Line 35: / Line 35: @@
 | K ||  > 500 || KA || KB || KC || KD || KE || KF || KG || KH || KI || KJ ||KK
 |}
 [[Category:ZINC15]]

Frodo at 23:50, 10 December 2014

2014-12-10T23:50:12Z

← Older revision		Revision as of 23:50, 10 December 2014
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			= Commonly used =

	=~~= Starting Points =~~=		* frag-like:
			* lead-like:
			* drug-like:

			= Property Space =
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Frodo: Created page with " == Starting Points == {| class="wikitable" |- ! || || A || B || C || D || E || F || G || H || I || J || K |- ! || || <-1 || -1 - 0 || 0 - 1 || 1 - ..."

2014-12-10T23:49:23Z

Created page with " == Starting Points == {| class="wikitable" |- ! || || A || B || C || D || E || F || G || H || I || J || K |- ! || || <-1 || -1 - 0 || 0 - 1 || 1 - ..."

New page

== Starting Points ==
{| class="wikitable"
|-
! || || A || B || C || D || E || F || G || H || I || J || K
|-
! || || <-1 || -1 - 0 || 0 - 1 || 1 - 2 || 2 - 2.5 || 2.5 - 3 || 3 - 3.5 || 3.5 - 4 || 4 - 4.5 || 4.5 - 5 || > 5
|-
| A || < 200 || AA || AB || AC || AD || AE || AF || AG || AH || AI || AJ || AK
|-
| B || 200 - 250 || BA || BB || BC || BD || BE || BF || BG || BH || BI || BJ || BK
|-
| C || 250 - 300 || CA || CB || CC || CD || CE || CF || CG || CH || CI || CJ || CK
|-
| D || 300 - 325 || DA || DB || DC || DD || DE || DF || DG || DH || DI || DJ || DK
|-
| E || 325 and 350 || EA || EB || EC || ED || EE || EF || EG || EH || EI || EJ || EK
|-
|| F || 350 and 375 || FA || FB || FC || FD || FE || FF || FG || FH || FI || FJ || FK
|-
| G || 375 and 400 || GA || GB ||GC || GD || GE || GF || GG || GH || GI || GJ || GK
|-
| H || 400 and 425 || HA || HB || HC || HD || HE || HF || HG || HH || HI || HJ || HK
|-
| I || 425 and 450 || IA || IB || IC || ID || IE || IF || IG || IH || II || IJ || IK
|-
| J || 450 and 500 || JA || JB || JC || JD || JE || JF || JG || JH || JI || JJ || JK
|-
| K || > 500 || KA || KB || KC || KD || KE || KF || KG || KH || KI || KJ ||KK
|}

[[Category:ZINC15]]