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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
(4S,5R,7R,8R,13R,16R,19R,22S)-7,22-dihydroxy-8-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
824.90
1.2
3
16
188.52
9
(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-3a-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-9-hydroxy-5a,5b,8,11a-tetramethyl-1-[(2S)-1-oxopropan-2-yl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid
973.10
0.6
11
20
329.12
12
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-8-acetyloxy-9-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-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,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
1163.30
0.7
14
25
400.43
14
(1R,4S,5R)-1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octane
152.23
1.7
0
1
9.23
0
(2R)-1-[(2S)-piperidin-2-yl]pentan-2-ol
171.28
1.7
2
2
32.26
4
8-Methoxy-3-methylnaphthalen-1-ol
188.22
3.2
1
2
29.46
1
3-(3-Hydroxybutyl)-2,4,4-trimethylcyclohex-2-en-1-ol
212.33
1.7
2
2
40.46
3
8,9-Dehydrothymol isobutyrate
218.29
4.5
0
2
26.3
4
(2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one
234.25
1
2
4
66.76
3
(1R,6R,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-1-ol
238.37
1.9
2
2
40.46
1
(1S,4aS)-1-hydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde
250.33
2.8
1
3
54.37
2
(2R,3R,5R)-2,3-epoxy-6,9-humuladien-5-ol-8-one
250.33
2.2
1
3
49.83
0
(1R,3S,4aR,6R,8aS)-8a-methyl-4-methylidene-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-1,3,4a-triol
252.35
1.5
3
3
60.69
1
Lansiumamide B
263.30
3.8
0
1
20.31
4
9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-2-one
268.23
-2.1
4
6
133.49
2
9-Methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
273.33
1.4
2
4
50.72
1
glybomine C
281.30
5
3
2
56.25
2
alpha-Dihydroartemisinin
284.35
2.5
1
5
57.15
0
Stemanthrene D
286.32
3.4
2
4
58.92
2
Eriophorin A
314.29
3
3
6
100.13
2
3-Palmitoyl-sn-glycerol
330.50
6.3
2
4
66.76
18
4-[2-[(1R,2S,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-3-oxo-2,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one
334.40
3.4
1
4
63.6
3
3-methyl-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopent-2-en-1-one
342.40
-0.6
4
7
116.45
7
(-)-ficuseptine C
347.40
4.6
0
4
30.93
1
4-Methyl-5-thiazoleethanol
143.21
0.8
1
3
61.36
2
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