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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
Gentian Violet
408.00
0
3
9.49
4
(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1-benzofuran-7-ol
344.40
1.6
4
6
99.38
5
(3R,5R)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)heptane-3,5-diol
346.40
2.6
4
5
90.15
9
Phyllaemblic acid B
348.34
-2.4
6
9
156.91
3
(2R)-2-[(1'R,4S,4aR,5'R,7R,8aS)-8',8'-dimethyl-1,3'-dioxospiro[4a,5,6,7,8,8a-hexahydro-3H-isochromene-4,2'-6-oxabicyclo[3.2.1]octane]-7-yl]propanoic acid
364.40
2.1
1
6
89.9
2
Gossypifan
368.40
3.7
0
6
63.22
5
grayanotoxin III
370.50
0.3
6
6
121.38
0
5-Allohydroxymatairesinol
374.40
2.1
3
7
105.45
6
(1R,6'S,8'R)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-6',8'-diol
385.40
1.2
2
7
80.62
2
Euglobal G4
386.50
5.3
2
5
83.83
4
4-methyl-2-[(1S,2R,3S,6R,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-yl]-2H-furan-5-one
389.50
3.2
0
6
65.07
2
3-[(1S,4aR,5S,6S,8aR)-5-[(2,5-dihydroxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-oxo-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid
402.50
4.7
3
5
94.83
5
Oxyresveratrol 2-O-beta-D-glucopyranoside
406.40
1
7
9
160.07
5
Olean-12-ene
410.70
10.7
0
0
0
0
Isosilybin A
482.40
2.4
5
10
155.14
4
Munronin C
512.50
2
0
9
117.73
4
Eriojaposide B
516.60
-1.6
6
11
175.37
7
[(3S,5R,8R,9R,10R,13R,14R,16S,17R)-17-[(E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-16-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
518.80
6.9
3
5
86.99
6
[(1R,2S,4R,6S,8S,9R,10S,11S,13S,15R)-2,8,15-triacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
520.60
2.7
1
9
125.43
8
Ecdysterone 20,22-monoacetonide
520.70
2
4
7
116.45
4
[(1R,2R,3R,5S,8R,9R,10R)-2-acetyloxy-9,10-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate
522.60
3.3
2
7
110.13
6
[(1R,2S,4R,6R,7S,10S,11R,13S,14S,15R,16R)-15-acetyloxy-7,11-dimethyl-6-[(1S)-1-(methylamino)ethyl]-14-[[(E)-2-methylbut-2-enoyl]amino]-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-13-yl] acetate
544.70
4.2
2
7
106.26
8
[(1R,4S,5S,8R,9R,10S,13S,14R,16R,17S,22R)-4,9,10,14,17,20,20-heptamethyl-23-oxo-24-oxahexacyclo[14.6.2.01,14.04,13.05,10.017,22]tetracosan-8-yl] benzoate
560.80
10.1
0
4
52.6
3
5-hydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
562.50
-0.7
8
13
219.74
5
[(1S,2R,4S,5R,6S,7S,9R,12R)-12-acetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-5-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate
594.60
4.2
1
10
134.66
11
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