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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
trans-Cadinol
222.37
3.3
1
1
20.23
1
(1R,4S,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
222.37
3.3
1
1
20.23
1
(1S,4S,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
222.37
3.3
1
1
20.23
1
(1S,4S,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
222.37
3.3
1
1
20.23
1
beta-Cadinol
222.37
3.5
1
1
20.23
1
1-Methyl-6-methylidene-4-(propan-2-yl)-decahydronaphthalene-1,4a-diol
238.37
2.4
2
2
40.46
1
Isocalamendiol
238.37
2.4
2
2
40.46
1
(E)-calamenene
202.33
5.1
0
0
0
1
alpha-Calacorene
200.32
4.4
0
0
0
1
Pelargonidin 3-O-galactoside
433.40
7
9
171.37
4
3-[5-Hydroxy-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-4,7-dioxo-2,3-dihydrochromen-6-yl]-3-phenylpropanoic acid
560.70
7.7
2
6
100.9
11
5-[(2R,3R,4R,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole
356.40
4.3
0
5
46.15
4
Calopiptin
356.40
4.3
0
5
46.15
4
5-[(2S,3S,4S,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole
356.40
4.3
0
5
46.15
4
6,8-Dimethoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
384.30
-0.3
4
10
148.05
5
Eleutheroside B1
384.30
-0.3
4
10
148.05
5
Dihydropriverogenin A
474.70
5.8
4
4
80.92
1
Camelliagenin B
488.70
5
4
5
97.99
2
Camelliagenin C
490.70
5.1
5
5
101.15
2
Theasapogenol E
504.70
3.8
5
6
118.22
2
(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-3,8,9,10-tetrahydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carbaldehyde
504.70
3.8
5
6
118.22
2
(3I(2),4I+/-,16I+/-,21I(2),22I+/-)-3,16,21,22,28-Pentahydroxyolean-12-en-23-al
504.70
3.8
5
6
118.22
2
3-Cyclopentene-1-acetic acid, 2,2,3-trimethyl-, (R)-
168.23
1.9
1
2
37.3
2
Xysmalogenin
372.50
2.5
2
4
66.76
1
9-[(E)-4-[3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl]oxy-3-methylbut-2-enoxy]furo[3,2-g]chromen-7-one
572.60
5.1
1
10
134.62
10
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