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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
(1S,2S,5R,6S,8S,11S,14R,17S,20R)-6,14-dimethyl-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosane-7,9-dione
346.40
2.7
0
5
61.83
0
(1S,2S,3R,5S,6R,8S,11S,14R,17S,20R)-3-hydroxy-6,14-dimethyl-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosane-7,9-dione
362.40
1.3
1
6
82.06
0
macrocalyxoformin B
344.40
2.6
0
5
61.83
0
Ludongnin B
346.40
3.1
0
5
69.67
0
[(3S,3aR,4S,6S,9R,9bS)-6,9-dihydroxy-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate
378.40
0.1
2
7
110.13
3
methyl (8R)-8-methyl-6-oxo-7,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
220.22
-0.1
1
4
68.29
2
Delphinidin-3-O-(6-p-coumaroyl)glucoside
611.50
9
13
238.13
8
4-[2-[(1R,4aR,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
334.40
3.4
2
4
66.76
4
4,16-Dimethoxy-10-methyl-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-ol
313.40
3.5
1
4
41.93
2
Jatrophenone
358.50
3.8
0
4
60.44
3
Ent-Oridonin
364.40
0.1
4
6
107.22
0
1-hydroxy taxuspine C
622.70
3.7
1
10
142.5
10
(1R)-7-methyl-4-methylidene-1-propan-2-yl-2,3-dihydro-1H-naphthalene
200.32
4.6
0
0
0
1
beta-Spathulene
202.33
3.7
0
0
0
0
beta-Pyrufuran
274.27
3.2
1
5
61.06
3
alpha-Pyrufuran
274.27
3.2
1
5
61.06
3
Thalifaberine
696.80
6.7
0
10
80.32
11
(2R,3S,4S,5R,6S)-2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2S)-6-methyl-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol
771.00
2.7
9
13
218.99
10
(2S,3S,4S,5R,6R)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
302.28
-0.9
5
8
128.84
4
3,5,7-Trihydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one
448.40
0.1
7
11
190.28
4
[3-(Acetyloxymethyl)-2-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxyphenyl)butyl] acetate
458.50
4.2
0
8
89.52
13
Salidroside
300.30
-0.6
5
7
119.61
5
Coclauril
151.16
-0.7
2
3
64.25
0
Malvidin
331.30
4
6
110.68
3
(13S,17S)-17-[(1R,2S)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one
381.60
1.8
4
5
84.83
6
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