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