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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
(4aS,5R,8aS,9aS)-3,5,8a-trimethyl-4a,5,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2,6-dione
246.30
2
0
3
43.37
0
Butyl propionate
130.18
2.1
0
2
26.3
5
1-(7-Hydroxy-2,6-dimethyl-1-naphthyl)-4-methyl-3-pentanone
270.40
4.5
1
2
37.3
4
Graphislactone H
316.30
3.5
1
6
78.13
3
DL-Tyrosine
181.19
-2.3
3
4
83.55
3
Hemigossypol
260.28
3.6
3
4
77.76
2
(1S,12S,13S,14R,15E)-15-ethylidene-7-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-13-carbaldehyde
336.40
1.9
0
3
34.47
2
Salvianolic acid G
340.30
2.7
4
7
124.29
1
methyl (1R,12S,13R,19R)-12-ethyl-13-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
354.40
2.5
2
5
61.8
3
4-O-Methylgrifolic acid
386.50
7.6
2
4
66.76
10
CID 11531613
408.50
3.3
0
6
71.06
3
Apteniol E
434.40
2.9
2
9
120.75
12
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
462.40
1.4
5
10
155.14
8
1-(2-Hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol
492.50
7.4
3
6
88.38
4
Andrographatoside
498.60
1.5
6
9
156.91
9
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-3,5-dihydroxy-2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
508.50
0.2
7
11
178.53
7
[(1R,2S,6R,10S,11R,13S,15R)-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (Z)-octadec-9-enoate
654.90
8.8
2
7
110.13
20
1,2-Butadiene
54.09
1
0
0
0
0
(2S,3R,4R,5R)-2-methyl-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-[[(14R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
931.20
2.4
11
17
277.91
12
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-2-(2-methylpropyl)butanedioate
1019.00
0.6
11
23
356.81
24
2-Hexyl-5-methylresorcinol
208.30
4.5
2
2
40.46
5
Phenol, 2-[(1H-purin-6-ylamino)methyl]-
241.25
1.6
3
5
86.72
3
5-hydroxy-2-phenethyl-4H-chromen-4-one
266.29
4
1
3
50.44
3
Strobochrysin
268.26
2.5
2
4
70.67
1
Neostenine
277.40
3.2
0
3
29.54
1
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