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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,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
740.90
2.8
7
13
196.99
5
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9R,10R,12aS,14aR,14bR)-8-acetyloxy-8a-(acetyloxymethyl)-4-formyl-9-hydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-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
1273.40
-0.4
12
28
429.64
19
Benzofuran-4-ol
134.13
2
1
2
33.37
0
2-[(1R,2R,3R)-3-hydroxy-1,2,3-trimethylcyclopentyl]-5-methylphenol
234.33
3.4
2
2
40.46
1
Eunicea sesquiterpenoid 3
250.33
1.9
1
3
46.53
0
Performone B
290.31
3
2
5
79.9
4
Bauhiniastatin 2
300.30
3.5
2
5
68.15
2
5,7-Dihydroxy-6,8-dimethoxyflavone
314.29
3
2
6
89.13
3
(4aS,10aS)-6,7-dihydroxy-1,1,4a-trimethyl-5-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
316.40
5.3
2
3
57.53
1
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]ethoxy]oxane-3,4,5-triol
318.36
-1.6
5
7
119.61
6
4',7-Dihydroxy-8-prenylflavanone
324.40
4.1
2
4
66.76
3
Glycyrrhizol B
350.40
4.1
1
5
61.06
1
1-Heptene
98.19
4
0
0
0
4
5-(2-Methylpropanoyl)-phloroglucinol-glucopyranoside
358.34
0.1
6
9
156.91
5
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,6R,7S,7aS)-6,7-dihydroxy-7-(hydroxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
364.34
-2.7
7
10
169.3
4
2-Heptene
98.19
3.2
0
0
0
3
(3S,6aR,6bR,8aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-ol
426.70
9.4
1
1
20.23
0
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-3-(2,3,4,5,6-pentadeuteriophenyl)-N-sulfooxypropanimidothioate
428.50
0.1
5
11
199.79
8
Butyl isothiocyanate
115.20
2.9
0
2
44.45
3
Schisandrene
502.50
5.6
0
8
81.68
5
CID 11613161
510.50
0.8
1
9
125.43
0
Rel-annotemoyin-1
564.90
11.8
2
5
75.99
26
2,3-Dihydroamentoflavone 7,4'-dimethyl ether
568.50
5.4
4
10
155.89
5
Butyl formate
102.13
1.4
0
2
26.3
4
(1R,2S,3S,9S,10S,17S)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
680.70
6.8
8
9
171.07
4
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