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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
3-O-b-D-Galactopyranosylproanthocyanidin A5'
738.60
0.8
12
17
288.91
5
3-O-alpha-L-Arabinopyranosylproanthocyanidin A5'
708.60
0.9
11
16
268.68
4
ent-Epicatechin-(2alpha->7,4alpha->8)-epicatechin 3-arabinoside
708.60
0.9
11
16
268.68
4
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin
576.50
2.4
9
12
209.76
2
Cycloartomunoxanthone
448.50
4.4
2
7
98.36
1
2-[4,5-dihydroxy-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
596.50
-1.6
10
16
269.43
6
(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
640.50
-1.2
11
18
306.73
7
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl]oxyoxane-2-carboxylic acid
624.50
-0.8
10
17
286.5
7
2-[[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
579.50
9
13
230.29
6
6'-Malonyltrifolirhizin
532.40
0.4
4
13
179.67
7
(2R,5S,7R,9S,10S,12S,15R,16R)-15-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-1(11)-ene-5,10-diol
428.60
5.1
2
3
52.99
4
(2S-trans)-6-(2-Chloroethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-1H-inden-1-one
252.73
2.7
1
2
37.3
2
Pterosin K
266.76
3.5
1
2
37.3
3
3,4-Dihydroxy-5-methoxy-trans-cinnamic acid methyl ester
224.21
1.5
2
5
75.99
4
D-ribulose 1-phosphate
230.11
-3.7
5
8
154.33
6
CID 14844611
468.70
8.2
1
4
63.6
6
methyl 3-[(1S,4R,5R,8S,9S,12S,13R)-4,8-dimethyl-5-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate
482.70
8.6
0
4
52.6
7
2,3,4,9-Tetrahydro-1-methyl-1H-pyrido(3,4-B)indole-3-carboxylic acid, trans-(-)-
230.26
-0.8
3
3
65.12
1
4-methoxy-3-methyl-6-[(1E,3E)-3-methylpenta-1,3-dienyl]pyran-2-one
220.26
3.1
0
3
39.44
3
31-Norlanostenol
414.70
9
1
1
20.23
5
6-Methoxy-7-(3-methyl-2-buten-1-yl)-1,3-dioxolo[4,5-h]quinolin-8(9H)-one
287.31
2.8
1
4
60.55
3
2-Methoxy-6,6-dimethyl-7,12,14-trioxa-9-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11(15),16-pentaen-5-ol
303.31
2.3
1
6
70.04
1
Neohydroxylunine, (+/-)-
303.31
1.7
1
6
69.92
0
((8R,8aS)-8-Isopropyl-5-methyl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl)methanol
220.35
2.6
1
1
20.23
2
14-Hydroxymuurolene
220.35
2.8
1
1
20.23
2
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