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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
Malvidin 3-arabinoside cation
463.40
6
10
169.6
5
CID 12137734
364.50
0.9
3
5
90.29
1
28-Hydroxylup-20(29)-en-3-one
440.70
8
1
2
37.3
2
methyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
470.70
8.5
1
3
46.53
3
[(1R,2R,3R,5S,8R,9R,10R,13S)-10,13-diacetyloxy-2,9-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (3R)-3-(methylamino)-3-phenylpropanoate
597.70
2.5
3
9
131.39
10
rel-(4aR,8aS)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan
216.32
4
0
1
13.14
0
[(2R,3S,4S,5R,6R)-6-[(2S)-2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
1035.50
16.1
3
11
158.05
50
O-6-Deoxy-I+/--L-mannopyranosyl-(1a3)-O-I+/--D-galactopyranosyl-(1a3)-6-deoxy-L-galactose
472.40
-5.1
9
14
236.06
9
Glc(a1-4)aldehydo-Gal
342.30
-5
8
11
197.37
8
Methyl 2-(4,5-dihydroxy-9,10-dioxo-3-propanoylanthracen-2-yl)acetate
368.30
2.7
2
7
117.97
5
Erythristemine
343.40
1.6
0
5
40.16
4
Taxine B
583.70
1.7
3
9
133.6
8
1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6-ol
344.40
3
2
4
58.92
4
Floionolic acid
332.50
3.6
4
5
97.99
17
Cyclohexyl acetate
142.20
1.9
0
2
26.3
2
(1S,3S)-6,7-dihydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
223.22
-1.6
4
5
89.79
1
(3S)-7,8-dihydroxy-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxylic acid
237.25
-1.4
4
5
89.79
1
4',5,6,7,8-Pentahydroxy-3'-methoxyflavone
332.26
1.9
5
8
140.59
2
[3-[(1S,4S)-2,2-dimethyl-4-prop-1-en-2-ylcyclopentyl]-2,4,6-trihydroxyphenyl]-phenylmethanone
366.40
6.4
3
4
77.76
4
17alpha-hydroxywithaferin A
486.60
2.2
3
7
116.59
3
(1S,3R,8R,11R,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-4-oxohept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
438.70
8.1
0
2
34.14
4
(3S,4aR,6aR,6bR,8aR,12aR,14aR,14bR)-6b-(hydroxymethyl)-4,4,6a,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
442.70
7.7
2
2
40.46
1
(4aR,6aR,6bR,8aR,12aR,14aR,14bR)-6b-(hydroxymethyl)-4,4,6a,8a,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
440.70
7.4
1
2
37.3
1
(3aR,4aS,5S,8aS,9aR)-5-hydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
250.33
2.6
1
3
46.53
0
(3S,4R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
267.24
-1.1
4
8
139.54
2
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