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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
(2S,3S,4S,5R,6R)-6-[[(1R,2R,4S,5R,8R,10S,13R,14R,17S,18R,21R,22R,23S)-2-butanoyloxy-21,23-dihydroxy-4,5,9,9,13,20,20-heptamethyl-22-[(Z)-2-methylbut-2-enoyl]oxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
1305.40
1.6
14
28
435.96
18
(2R,3S,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-3-[(2R,3R,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxycarbonyl-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carbonyl]oxy-2,12-dihydroxy-4-(hydroxymethyl)-6a,6b,11,12,14b-pentamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1373.70
4.4
14
24
406.88
14
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-4-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
1543.60
-4.5
20
37
585.03
19
2,6-Dideuterio-4-(2-hydroxyethyl)phenol
140.18
0.4
2
2
40.46
2
Pyruvate
87.05
-0.6
0
3
57.2
0
Inositol 1-phosphate
260.14
-4.8
7
9
177.72
2
(3S,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
186.25
0.5
2
3
49.69
2
Methyl (-)-Shikimate
188.18
-1.4
3
5
86.99
2
2-(4-Acetyloxycyclohexylidene)acetic acid
198.22
0.8
1
4
63.6
3
Presilphiperfolan-8beta-ol
222.37
3.9
1
1
20.23
0
Isodihydroagarofuran
222.37
3.9
0
1
9.23
0
Gardenamide
223.22
-1.1
2
4
75.63
3
1(3H)-Isobenzofuranone, 3-(1,2-dihydroxypropyl)-6-hydroxy-
224.21
0.2
3
5
86.99
2
6,9-Dimethoxy-[1,3]dioxolo[4,5-b]quinoline
233.22
2.3
0
5
49.81
2
(1aR,4S,4aR,7S,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol
238.37
2.3
2
2
40.46
0
1-Deuteriohexadecan-1-one
241.43
7.1
0
1
17.07
14
2-Acetyl-3-methyl-1,8-dimethoxynaphthalene
244.28
3.2
0
3
35.53
3
CID 107770
284.35
2.5
1
5
57.15
0
Nupharolutine
249.35
2.3
1
3
36.61
1
4-(cis)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone
250.25
1
3
5
94.83
1
Pyronaridine
518.00
5.3
2
7
73.75
7
Andrachcinine
253.38
2.2
1
3
40.54
7
o-Tolyl acetate
150.17
1.6
0
2
26.3
2
(3aR,6S,7R,8aR,9aR)-6,7-dihydroxy-5,8a-dimethyl-3-methylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
264.32
0.6
2
4
66.76
0
2-Aminopropiophenone
149.19
1.1
1
2
43.09
2
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