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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
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-[(2S,3R,4S,5R,6R)-4-acetyloxy-6-(acetyloxymethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-(2-methylpropyl)butanedioate
972.90
-1.5
10
24
362.88
24
[(3R)-octan-3-yl] acetate
172.26
3.4
0
2
26.3
7
cis-alpha-Ambrinol
194.31
2.8
1
1
20.23
0
3,6-Dihydroxy-2-(3-methylbut-3-en-1-yn-1-yl)benzaldehyde
202.21
3
2
3
57.53
3
2-Methylheptane
114.23
4.3
0
0
0
4
Pentyl Undecanoate
256.42
6.5
0
2
26.3
14
Heptadec-16-en-12-ynoic acid
264.40
6
1
2
37.3
12
2,4,6-Trihydroxy-5-(3-methylbutanoyl)benzene-1,3-dicarbaldehyde
266.25
2.4
3
6
111.9
5
(3R,3aR,6S,6aS,9aS,9bR)-3,6a-dihydroxy-3-(hydroxymethyl)-6,9a-dimethyl-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-2,9-dione
296.31
0
3
6
104.06
1
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,2S,4R,5R)-5-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxane-3,4,5-triol
332.39
-0.2
5
7
119.61
3
4-[(2S,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
360.40
2.1
3
6
88.38
7
Glabrol
392.50
6
2
4
66.76
5
Sarcaglaboside C
410.50
0.7
4
8
125.68
6
1-Hexene
84.16
3.4
0
0
0
3
[(1E,3S,4R,6S,9R,11S)-3-acetyloxy-9-hydroxy-7,11,16,16-tetramethyl-10,14-dioxo-6-tricyclo[9.3.1.14,8]hexadeca-1,7,12-trienyl] acetate
430.50
1.7
1
7
106.97
4
Millewanin H
438.50
5.1
5
7
131.36
6
Glychionide A
446.40
1.1
6
11
187.12
4
methyl (4aR,5S,6R,6aR,7S,11aS,11bR)-5,6-diacetyloxy-4a-hydroxy-4,4,11b-trimethyl-1-oxo-2,3,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-7-carboxylate
476.50
1.7
1
9
129.34
6
Sagittine E
504.70
5.2
1
7
91.29
9
Lancifodilactone K
526.60
1.4
1
9
125.43
1
[(1R,3S,4aS,6aR,6bS,8aR,12aR,14R,14aS,14bS)-14-ethoxy-1-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
528.80
8.5
1
4
55.76
4
[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-15-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 3-methylbut-2-enoate
602.80
6.8
3
7
105.45
7
CID 11599836
628.70
7.3
2
8
119.36
8
cyclo[Ala-Val-Thr-Pro-Gly-Leu-Asn]
652.70
-1.2
8
9
258.23
6
Hexa-2,4-diene
82.14
2.8
0
0
0
1
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