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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
2-Hydroxy-2-(1-hydroxyethyl)-4-methylpentanoic acid
176.21
0.4
3
4
77.76
4
(2R,3R,8S,9S,10R,13S,14S,17R)-17-ethyl-2-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
345.50
3.3
2
3
49.33
2
(3R,4R)-4-[(3,4-dihydroxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
388.40
3.2
2
7
94.45
7
(+/-)-trans-3-(2,4,5-Trimethoxyphenyl)-4-[(e)-2,4,5-trimethoxystyryl]cyclohex-1-ene
440.50
5.6
0
6
55.38
9
2-Methoxy-3-nonylresorcinol
268.39
4.2
2
3
49.69
9
1-[(2R,3R,8S,9S,10R,13S,14S,17S)-3-(dimethylamino)-2-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
359.50
4
1
3
40.54
2
7-Hydroxy-11-methoxy-[1,3]dioxolo[4,5-b]xanthen-10-one
286.24
2.4
1
6
78.13
1
(2R,3R,8S,9S,10R,13S,14S,17R)-3-(dimethylamino)-17-ethyl-2-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
359.50
3.8
1
3
40.54
2
2,3',4-Trihydroxybibenzyl
230.26
3.1
3
3
60.69
3
e-Eleostearic acid
278.40
6.4
1
2
37.3
13
Syringoylglucose
360.31
-2.3
6
10
173.98
9
p-Coumaroylmalic acid
280.23
0.1
4
7
132.13
6
p-Coumaroyl glycolic acid
222.19
0.8
3
5
94.83
4
p-Coumaroyl l-arabinose
296.27
-1.2
5
7
135.29
7
[(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2,3-dimethylbutanoate
269.34
0.2
2
5
70
5
Prenylcaffeic acid
248.27
3.1
3
4
77.76
4
2-Hydroxyecdysone
480.60
0.9
6
7
138.45
5
Caffeoyl-feruloyltartaric acid
488.40
0.7
7
12
219.12
10
Dilinoleoyl-oleoyl-glycerol
881.40
18.6
3
6
111.9
48
24-Ethylcholest-22-enol
414.70
9.9
1
1
20.23
6
Methyl deca-3,5,7-trienoate
180.24
2.8
0
2
26.3
6
5,23-Cholestadien-3beta-ol
384.60
7.9
1
1
20.23
4
Dihydroxystigmasterol
444.70
6.8
3
3
60.69
5
Arundanine
390.50
4
2
3
47.43
7
Dioleoyllinoleoylglycerol
883.40
18.7
3
6
111.9
50
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