ZINC22:Numbering
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This page maps ZINC22 numbering. ZINC numbers are built as follows:
- ZINC
- single character for HAC. e.g. HAC 17 = "h"
- single character for LogP. e.g. LogP of 1.75 is "n"
- single character for originating lab (0 = commercial source)
- single character for library number (0 = commercial source)
- 8 digit number in radix 62 from the dictionary 0-9a-zA-Z
- for backward compatibility, HAC and LogP are 0 for ZINC-20 and previous versions (and numbers are decimal)
- thus eg.
- ZINChg000000001 is from ZINC-22, HAC 17, logP between 1.0 and 1.09, is from a commercial big library (Enamine, WuXi, Mcule).
- ZINCfae10000001 is from a bespoke library, HAC 15, logP between 0.4 and 0.49, laboratory "e" and is library 1 from that lab.
- ZINC00000000007 is from ZINC20, with unspecified HAC and LogP, and can be looked up at zinc20.docking.org/substances/7
The table of conversions for radix-62 is as follows:
| Digit | HAC | Letter | LogP range |
|---|---|---|---|
| 0 | 0 | M500 | up to -5 |
| 1 | 1 | M400 | -4.99 to -4.0 |
| 2 | 2 | M300 | -3.99 to -3.0 |
| 3 | 3 | M200 | -2.99 to -2.00 |
| 4 | 4 | M100 | -1.99 to -1.00 |
| 5 | 5 | M000 | -0.99 to 0.00 |
| 6 | 6 | P000 | 0.00 to 0.09 |
| 7 | 7 | P010 | 0.10 to 0.19 |
| 8 | 8 | P020 | 0.20 to 0.29 |
| 9 | 9 | P030 | 0.30 to 0.39 |
| a | 10 | P040 | 0.40 to 0.49 |
| b | 11 | P050 | 0.50 to 0.59 |
| c | 12 | P060 | 0.60 to 0.69 |
| d | 13 | P070 | 0.70 to 0.79 |
| e | 14 | P080 | 0.80 to 0.89 |
| f | 15 | P090 | 0.90 to 0.99 |
| g | 16 | P100 | 1.00 to 1.09 |
| h | 17 | P110 | 1.10 to 1.19 |
| i | 18 | P120 | 1.20 to 1.29 |
| j | 19 | P130 | 1.30 to 1.39 |
| k | 20 | P140 | 1.40 to 1.49 |
| l | 21 | P150 | 1.50 to 1.59 |
| m | 22 | P160 | 1.60 to 1.69 |
| n | 23 | P170 | 1.70 to 1.79 |
| o | 24 | P180 | 1.80 to 1.89 |
| p | 25 | P190 | 1.90 to 1.99 |
| q | 26 | P200 | 2.00 to 2.09 |
| r | 27 | P210 | 2.10 to 2.19 |
| s | 28 | P220 | 2.20 to 2.29 |
| t | 29 | P230 | 2.30 to 2.39 |
| u | 30 | P240 | 2.40 to 2.49 |
| v | 31 | P250 | 2.50 to 2.59 |
| w | 32 | P260 | 2.60 to 2.69 |
| x | 33 | P270 | 2.70 to 2.79 |
| y | 34 | P280 | 2.80 to 2.89 |
| z | 35 | P290 | 2.90 to 2.99 |
| A | 36 | P300 | 3.00 to 3.09 |
| B | 37 | P310 | 3.10 to 3.19 |
| C | 38 | P320 | 3.20 to 3.29 |
| D | 39 | P330 | 3.30 to 3.39 |
| E | 40 | P340 | 3.40 to 3.49 |
| F | 41 | P350 | 3.50 to 3.59 |
| G | 42 | P360 | 3.60 to 3.69 |
| H | 43 | P370 | 3.70 to 3.79 |
| I | 44 | P380 | 3.80 to 3.89 |
| J | 45 | P390 | 3.90 to 3.99 |
| K | 46 | P400 | 4.00 to 4.09 |
| L | 47 | P410 | 4.10 to 4.19 |
| M | 48 | P420 | 4.20 to 4.29 |
| N | 49 | P430 | 4.30 to 4.39 |
| O | 50 | P440 | 4.40 to 4.49 |
| P | 51 | P450 | 4.50 to 4.59 |
| Q | 52 | P460 | 4.60 to 4.69 |
| R | 53 | P470 | 4.70 to 4.79 |
| S | 54 | P480 | 4.80 to 4.89 |
| T | 55 | P490 | 4.90 to 4.99 |
| U | 56 | P500 | 5.00 to 5.99 |
| V | 57 | P600 | 6.00 to 6.99 |
| W | 58 | P700 | 7.00 to 7.99 |
| X | 59 | P800 | 8.00 to 8.99 |
| Y | 60 | P900 | 9.00 and above |