Zinc15 property exports: Difference between revisions

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(Created page with " = Tier 1 = == Level 1 - mwt == <pre> $first{A} = " < 200"; $first{B} = " between 200 and 250"; $first{C} = " between 250 and 300"; $first{D} = " between 300 and 325"; $first{...")
 
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= Tier 1 =
= Tier 1 =
== Level 1 - mwt ==
== Level 1 - mwt ==
<pre>
A < 200 < B < 250 < C < 300 < D < 325 < E < 350 < F < 375 < G < 400 < H < 425 < I < 450 < J < 500 < K < 999
$first{A} = " < 200";
$first{B} = " between 200 and 250";
$first{C} = " between 250 and 300";
$first{D} = " between 300 and 325";
$first{E} = " between 325 and 350";
$first{F} = " between 350 and 375";
$first{G} = " between 375 and 400";
$first{H} = " between 400 and 425";
$first{I} = " between 425 and 450";
$first{J} = " between 450 and 500";
$first{K} = " > 500";
</pre>


== Level 2 - logP  ==  
== Level 2 - logP  ==  
<pre>
A < -1 < B < 0 < C < 1 < D < 2 < E < 2.5 < F < 3 < G < 3.5 < H < 4 < I < 4.5 < J < 5 < K
$second{A} = " < -1";
$second{B} = " between -1 and 0";
$second{C} = " between 0 and 1";
$second{D} = " between 1 and 2";
$second{E} = " between 2 and 2.5";
$second{F} = " between 2.5 and 3";
$second{G} = " between 3 and 3.5";
$second{H} = " between 3.5 and 4";
$second{I} = " between 4 and 4.5";
$second{J} = " between 4.5 and 5";
$second{K} = " > 5 ";
</pre>


= Tier 2 =  
= Tier 2 =  
Line 36: Line 12:
  # 2 = lo, gs, ph 6.4 ish ; 3 = hi, gs, ph 8.4 ish ; 4 = hei;  5 = covalent
  # 2 = lo, gs, ph 6.4 ish ; 3 = hi, gs, ph 8.4 ish ; 4 = hei;  5 = covalent
== Level 4 - clean ==  
== Level 4 - clean ==  
 
A = Unknown, B = Clean, C= weak nucleophile, D = weak eletrophile, E = hot
<pre>
NB currently only A in use.
$second{A} = "Unknown";
$second{B} = "Clean";
$second{C} = "Blah";
$second{D} = "DAH";
</pre>


== Level 5 - best purch ==  
== Level 5 - best purch ==  
<pre>
A = premier (50), B = in-stock (40), C = agent (30), D = on-demand (20), E = boutique (10), F = not for sale
$third{A} = "50";
$third{B} = "40";
$third{C} = "30";
$third{D} = "20";
$third{E} = "10";
$third{F} = "0";
</pre>


== Level 6 - charge ==
== Level 6 - charge ==
  # A <= -2 ; B = -1 ; C = 0 ; D = +1 ; E = >= 2
  # A <= -2 ; B = -1 ; C = 0 ; D = +1 ; E = >= 2
= Examples =
Lead-like:  [ABCDE][ABCDEFG]/[01][*][ABCD]
Frag-like:    [AB][ABCDEFG]/[01][*][ABCD]

Latest revision as of 23:39, 7 November 2014

Tier 1

Level 1 - mwt

A < 200 < B < 250 < C < 300 < D < 325 < E < 350 < F < 375 < G < 400 < H < 425 < I < 450 < J < 500 < K < 999

Level 2 - logP

A < -1 < B < 0 < C < 1 < D < 2 < E < 2.5 < F < 3 < G < 3.5 < H < 4 < I < 4.5 < J < 5 < K

Tier 2

Level 3 - 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

Level 4 - clean

A = Unknown, B = Clean, C= weak nucleophile, D = weak eletrophile, E = hot

NB currently only A in use.

Level 5 - best purch

A = premier (50), B = in-stock (40), C = agent (30), D = on-demand (20), E = boutique (10), F = not for sale

Level 6 - charge

# A <= -2 ; B = -1 ; C = 0 ; D = +1 ; E = >= 2

Examples

Lead-like:   [ABCDE][ABCDEFG]/[01][*][ABCD]
Frag-like:    [AB][ABCDEFG]/[01][*][ABCD]
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