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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
Erythrosine
879.90
0
5
81.65
0
2-[[2-[(3-Pyridinylcarbonyl)amino]benzoyl]amino]-3,4,5-trimethoxybenzoic acid methyl ester
465.50
3.4
2
8
125.08
9
crosatoside B
446.40
-1.5
7
11
178.53
7
(25S)-5beta-spirostan-3beta-yl beta-D-glucopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside
1035.20
-0.9
12
22
335.06
11
6-(3,4-Dihydroxyphenethoxy)-5-hydroxy-4-((3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)methyl)-2-((3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)t
770.70
-1.6
11
19
304.21
13
(2S,3R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-5-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
852.10
1.8
8
15
220.46
7
(R)-[(4S)-5-methyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
282.40
2.6
1
3
36.36
2
3,6-bis(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione
354.26
-3.5
7
12
203.44
4
p-Digallussaure
324.24
-0.6
7
9
175.75
3
Digalloylglucose
484.40
-2.7
11
14
273.74
9
1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
418.40
-0.1
7
9
167.91
3
6-beta-Hydroxyhyoscyamine
305.40
0.9
2
5
70
5
Caffeoylglucose
342.30
-2.2
7
9
175.75
8
2,3,4,6-Tetramethyl-d-galactose
240.29
-2.4
5
6
118.22
5
12-Octadecadienoic acid
280.40
6.5
1
2
37.3
14
trans-4-Hydroxymethyl-D-proline
146.16
-3.2
3
4
69.56
2
3-(Isoxazolin-5-on-2-yl)alanin
174.15
-3.5
2
6
92.86
3
(3S,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxy-3,4-bis(3,4,5-trihydroxybenzoyl)-1,6-bis(3,4,5-trihydroxyphenyl)hexane-1,2,6-trione
788.60
-2.4
17
22
429.26
13
Hexagalloylglucose
1092.80
-2
23
30
584.78
17
(14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
358.60
8.5
1
1
20.23
13
Ficin
300.84
2
1
2
23.85
1
Vinylenformamidin
112.13
-1.6
4
2
99.74
2
2-O-p-Cumaroylglycerol
238.24
0.5
3
5
86.99
6
6-Galloylglucose
332.26
-3.1
8
10
195.98
7
Graminol
190.24
1.9
1
2
28.4
2
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