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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
1-[(3S,5S,8R,9S,10S,13S,14S)-3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
935.00
-2.1
12
21
333.67
12
(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6b,9,9,12a-hexamethyl-4a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-6a-carboxylic acid
957.10
1.5
11
19
312.05
10
Polianthoside C
1227.30
-2
16
28
434.44
15
1H-2-Benzopyran-1-one, 3-(1-butynyl)-
198.22
3.1
0
2
30.21
1
1,2-Diisopropylbenzene
162.27
4.2
0
0
0
2
2-((2R,4aR,8aR)-4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)acrylaldehyde
218.33
3.8
0
1
17.07
2
6-Hydroxy-7,8-dimethoxycoumarin
222.19
1.5
1
5
68.9
2
4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol
226.29
3
1
1
24.11
1
(3R)-3,6,8,9-tetrahydroxy-3-methyl-2,4-dihydroanthracen-1-one
274.27
2
4
5
97.99
0
1-Bromo-6-fluoro-3,4-dihydrophenanthrene
277.13
4.8
0
1
0
0
Charminarone
278.30
-0.1
0
5
77.51
4
1-(3,4-Dimethoxyphenyl)-5-hydroxyoctan-3-one
280.36
1.9
1
4
55.76
9
gamma-GLUTAMYL-S-ALLYLCYSTEINE
290.34
-2.8
4
7
155.02
10
Glabone
292.30
3.6
0
4
52.58
2
9alpha-Hydroxyisopimara-8(14),15-dien-7-one
302.50
4.5
1
2
37.3
1
(R)-b-(Boc-amino)-2,5-difluorobenzenebutanoic acid
315.31
2.6
2
6
75.63
7
Ophioglonol
316.26
0.8
5
7
131.36
2
Protosappanin A dimethyl acetal
318.32
2.2
3
6
88.38
2
5,9,17,17-Tetramethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13(18),19-hexaene
321.40
6
0
3
35.26
0
1-[(1R,12R,13S,18S)-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone
336.40
2.2
0
3
34.47
1
[6aS,(+)]-5,6,6a,7-Tetrahydro-1,2,9,10-tetramethoxy-4H-dibenzo[de,g]quinoline
341.40
2.9
1
5
48.95
4
2-(Acetyloxy)-5-methoxy-3-undecyl-2,5-cyclohexadiene-1,4-dione
350.40
5.9
0
5
69.67
13
Vitedoamine A
351.40
2.9
3
5
88.02
3
4-[(3R,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol
356.40
2.5
1
6
66.38
3
3-Hydroxyflavone
238.24
3.4
1
3
50.44
1
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