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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
Ponticaepoxide
182.22
2.6
0
1
12.53
4
Apigenin 7-O-beta-D-galactomannoside
594.50
-1.3
9
15
249.2
7
Cyanidin 3-(sinapoyl-xylosyl-glucosyl)-galactoside
949.80
13
23
374.43
16
Luteolin 7-O-(6''-O-malonyl)-beta-D-diglucoside
696.60
-1.9
10
19
312.8
11
Tamarindienal
252.22
1
6
105.58
6
alpha-Guttiferin
454.60
5.7
2
6
96.97
6
2,4-Diamino-5,6-dihydroxypyrimidine
284.23
8
8
236.04
0
Avenacin B2
1049.20
1.9
10
20
313.58
12
2''-Methoxy-(R)-oleuropein
570.50
-1
6
14
210.9
12
Taraxinic acid
262.30
1.4
1
4
63.6
1
Dihydrocapsenone
236.35
3.3
1
2
37.3
1
Valenciaxanthin
412.60
6.6
2
3
52.99
9
3-[(2E,4Z,6E,8E,10E,12E,14E,16Z,18E)-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaenoyl]-3,4,4-trimethylcyclopentan-1-one
582.90
10.2
1
3
54.37
11
(5Z)-4-(carboxymethyl)-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
390.34
-2.3
6
11
183.21
6
Plantanone B
756.70
-2.5
12
20
328.35
9
3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-5,7-diol
463.40
6
10
169.6
6
Malvidin 3-rhamnoside
477.40
6
10
169.6
5
Malvidin 3-rhamnoside 5-glucoside
639.60
9
15
248.75
8
Gibberellin A85
364.40
-0.7
4
7
124.29
1
tetracosyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
530.80
13.9
1
4
55.76
27
Citrusin IV
897.90
-1
11
14
351.7
12
Trigofoenoside C
1067.20
-1.4
14
23
366.29
14
Pelargonidin 3-O-[b-D-Glucopyranosyl-(1->2)-[3,4-dihydroxycinnamoyl-(->6)]-b-D-glucopyranoside] 5-O-b-D-glucopyranoside
919.80
14
22
376.2
14
(1S,5R,6R,21S)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
544.50
3.1
7
10
169.3
2
Lambertianin B
2171.40
5.2
32
60
1007.7
10
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