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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
Methylsyringin
386.40
-0.8
4
9
127.07
8
(2S)-2-amino-4-(furan-2-yl)-4-oxobutanoic acid
183.16
-2.7
2
5
93.53
4
Serylmethionine
236.29
-3.2
4
6
137.95
7
2-Hydroxy-5-butoxyphenylacetic acid
224.25
2.3
2
4
66.76
6
2-beta-d-Glucopyranosyloxy-5-butoxyphenylacetic acid
386.40
0.4
5
9
145.91
9
(5R,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
370.40
1.7
2
7
94.45
2
(5R,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
430.40
1.7
2
9
112.91
4
(5R,5aR,8aR,9R)-9-(3,4-dimethoxyphenyl)-5-hydroxy-4-methoxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
414.40
2
1
8
92.68
4
(5R,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-4-methoxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
400.40
1.7
2
8
103.68
3
Ventiloquinone B
346.30
1.7
0
7
80.29
2
7-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
432.40
1.8
6
10
170.05
4
7-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromen-4-one
448.40
1.4
7
11
190.28
4
2,6-Dimethoxybenzoic acid
182.17
0.7
1
4
55.76
3
4H-Tomentosin
250.33
2.4
1
3
46.53
3
(1R)-2,2,4-trimethyl-5-oxocyclohex-3-ene-1-carboxylic acid
182.22
1.3
1
3
54.37
1
(3Z)-3,7-dimethylocta-3,6-dienoic acid
168.23
3
1
2
37.3
4
(3S,3'S,3aR,4S,4'R,5'S,6S,8'R,9'E,10E,11aR)-3',4-dihydroxy-3,5',10,10'-tetramethylspiro[3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6,15'-7,14-dioxatricyclo[11.4.0.04,8]heptadeca-1(13),9-diene]-2,6',7-trione
528.60
2.1
2
8
119.36
0
[(3R,3aR,4S,6E,10E,11aR)-3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] acetate
292.40
2.5
0
4
52.6
2
[(1R,4S,6R,9R,10S,11S,13R)-6,13-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
376.50
2.5
2
5
83.83
2
12-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
398.40
0.3
4
8
133.75
3
3-(6-Methoxy-9H-beta-carbolin-1-yl)propanoic acid
270.28
2.1
2
4
75.21
4
Ethyl 1-(ethylthio)ethyl disulfide
182.40
2.8
0
3
75.9
5
L-Quebrachitol
194.18
-3.2
5
6
110.38
1
trans-4-Hydroxycyclohexanecarboxylic acid
144.17
0.3
2
3
57.53
1
Threonic acid
136.10
-2.1
4
5
97.99
3
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