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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
Emetan-6'-ol, 7',10,11-trimethoxy-, (1'beta)-
466.60
4.4
2
6
63.19
6
(6R,7S)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
415.40
-4.4
4
10
201.63
10
Cepharamine
329.40
2
1
5
59
2
3beta,5alpha,6beta-Trihydroxy-7,22-ergostadiene
430.70
5.6
3
3
60.69
4
(2S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-2-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
442.70
9.2
1
2
37.3
0
Phyllocladan-16alpha-ol
290.50
5.9
1
1
20.23
0
beta1-Chaconine
705.90
3.4
6
11
161.54
5
beta-2-Chaconine
705.90
2.8
6
11
161.54
5
beta-D-Glucopyranoside, (3beta)-solanid-5-en-3-yl
559.80
4.5
4
7
102.62
3
5-Hydroxy-6-[4-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
566.50
5.9
3
10
148.8
6
(+)-beta-Chamigrene
204.35
4.7
0
0
0
0
(3E,5E,7E)-trideca-3,5,7-trien-9,11-diyn-1-ol
186.25
3
1
1
20.23
5
Chandalone
404.50
5.9
2
5
79.9
3
[8-Acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
613.70
2.2
1
10
112.99
11
2-Cyclopentene-1-tridecanoic acid
280.40
7
1
2
37.3
13
(+)-Chebulic acid
356.24
-0.8
6
11
198.89
5
Cheiroside A
682.80
0.5
7
13
204.83
6
6-{[4,4,6A,6B,11,11,14B-Heptamethyl-8A-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-YL]oxy}carbonyl)-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-tetradecahydropicen-3-YL]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-YL]oxy}oxane-2-carboxylic acid
957.10
2.7
11
19
312.05
10
(1S,2R,4Ar,6aR,6aS,6bR,8aS,12aS,14bR)-1,2,4a,6a,6b,9,9,12a-octamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene
410.70
10.5
0
0
0
0
alpha-d-Mannosamine
179.17
-2.8
5
6
116.17
1
Chlorogenin
432.60
5.1
2
4
58.92
0
Neochlorogenin
432.60
5.1
2
4
58.92
0
6-epi-Ophiobolin A
400.50
3.5
1
4
63.6
2
Ophiobolin B
402.60
3.6
2
4
74.6
5
Cyanidin 3-O-beta-D-glucoside
449.40
8
10
191.6
4
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