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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
[2-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulene-8-carboxylate
700.60
4.1
10
15
264.13
5
[2-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulene-8-carboxylate
852.70
5.2
12
19
330.89
8
Gossyrubilone
343.40
3.5
2
5
86.96
5
Carthamin
910.80
-2.5
15
22
407.26
11
Avenalumin III
291.30
3.6
1
4
63.33
3
Charine
274.23
-3.7
6
8
176.94
2
Homofluorodaturatine
254.28
1.3
1
3
54.59
0
Decylcyclopentane
210.40
7.8
0
0
0
9
Dihydroencecalin
234.29
2.6
0
3
35.53
2
(2S)-4-[2-[(2S)-2-carboxy-5,6-dihydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
388.30
0.6
5
10
167.96
5
(6r,s)-5,10-Methenyltetrahydrofolate
455.40
-1
5
8
196.58
6
cis-Vitamin K2
444.60
8.9
0
2
34.14
11
methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12-(hydroxymethylidene)-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaene-3-carboxylate
885.20
11
2
10
139.01
22
2'-Deoxyadenosine
251.24
-0.5
3
7
119.31
2
(E)-1-[3-[(1R,5S,6R)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
678.70
7.8
8
10
195.98
9
7-methoxy-6-[(1S)-1-[(1R)-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene
450.60
5.7
0
5
46.15
6
4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-
113.12
-0.8
2
2
56.19
0
2,6-Dihydroxy-9-phenylphenalen-1-one
288.30
4.3
2
3
57.53
1
methyl (1R,9R,16R,18R,20R,21R)-20-hydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
354.40
2
2
5
61.8
2
Medicagenic acid-3-O-glucopyranoside
664.80
3.6
7
11
194.21
5
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
664.80
3.6
7
11
194.21
5
2-methyl-5-(8Z,11Z)-8,11,14-pentadecatrienyl-1,3-benzenediol
328.50
7.5
2
2
40.46
12
1-(4-Hydroxy-3-methoxyphenyl)undecan-3-one
292.40
4.3
1
3
46.53
11
Acetyldelcosine
495.60
-0.5
3
9
117.92
7
Apigenin 6-C-glucosyl-8-C-arabinoside
726.60
-3.4
13
19
330.12
8
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