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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
4,5-Dimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraen-12-ol
287.35
1.8
1
4
41.93
2
7-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]chromen-2-one
332.40
3
2
5
79.9
7
14beta,17alpha-Pregn-5-en-20-one, 3beta,8,11alpha,12beta,14-pentahydroxy-
380.50
-0.6
5
6
118.22
1
Augustic acid
472.70
6.5
3
4
77.76
1
(E)-Masticadienonic acid
454.70
7.6
1
3
54.37
5
[(3R,3aR,4S,9R,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
306.40
1
1
5
72.83
2
N-[1-[(13E)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)-3-methylpentanamide
617.80
4.9
3
6
120.08
9
(1aR,4aS,8aS)-4a,8,8-trimethyl-1a,5,6,7-tetrahydro-1H-cyclopropa[j]naphthalen-2-one
204.31
3.7
0
1
17.07
0
Mearnsetin 3-rhamnoside; Myricetin 4'-methyl ether-3-O-rhamnoside
478.40
0.8
7
12
199.51
4
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
478.40
0.8
7
12
199.51
4
(Methylsulfanyl)butyl glucosinolate
421.50
-0.5
5
12
225.09
10
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-4-methylsulfinyl-N-sulfooxybutanimidothioate
423.50
-2.4
5
13
236.07
9
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-4-methylsulfanyl-N-sulfooxybutanimidothioate
407.50
-0.9
5
12
225.09
9
Phenethyl glucosinolate
423.50
0.1
5
11
199.79
8
beta-Guaiene
204.35
4.1
0
0
0
0
cis-beta-Guaiene
204.35
4.1
0
0
0
0
gamma-Guaiene
204.35
4
0
0
0
1
(4aR,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde
456.70
6.8
2
3
57.53
1
(+)-alpha-Gurjunene
204.35
4.1
0
0
0
0
alpha-Gurjunene
204.35
4.1
0
0
0
0
(1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene
204.35
4.7
0
0
0
0
1,4-Dimethyl-7-(1-methylethenyl)-octahydroazulene
204.35
5.3
0
0
0
1
(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
506.70
4
6
6
121.38
2
Protoescigenin
506.70
4
6
6
121.38
2
Gymnestrogenin
490.70
4.9
5
5
101.15
2
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