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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
(2S)-5,7,4'-Trihydroxy-2'-methoxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone
438.50
6.2
3
6
96.22
6
Isosophoranone
438.50
6.4
3
6
96.22
6
marchantin H
440.50
6.4
3
5
79.15
0
(6R,8S)-nonacosane-6,8-diol
440.80
12.7
2
2
40.46
26
Arnidiol
442.70
7.6
2
2
40.46
0
N-[(3R,10S,13S,17S)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N,3-dimethylbut-2-enamide
442.70
7.5
0
2
23.55
4
(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-1,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-2,10-diol
444.70
8.3
2
2
40.46
0
Secasterone
446.70
5.7
2
4
70.06
5
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-2-(hydroxymethyl)-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-13-one
456.70
6.5
2
3
57.53
1
Commipherol
458.70
7
2
3
57.53
10
[(3aR,4R,6aR,8S,9aR,9bR)-3,6,9-trimethylidene-2-oxo-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] acetate
466.50
-0.7
4
10
151.98
5
Pyrazole
68.08
0.3
1
1
28.68
0
1-[[(2S,3R)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
475.60
4.6
3
5
69.75
5
Caesalmin E
492.60
2.1
2
9
132.5
6
Cowanol
494.60
6.9
4
7
120.36
9
(1R,4aS,6aS,6aS,6bR,8aR,9S,10R,11R,12R,12aR,14bS)-10,11,12-trihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
502.70
3.9
5
6
118.22
2
Prunioside A
506.50
1.1
5
11
172.21
10
(5-Hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate
231.14
-0.9
1
6
115.35
2
Cucurbitacin IIb
520.70
2
5
7
135.29
5
1,4-Dihydropyridine
81.12
1.2
1
1
12.03
0
(2R,3R)-2-[4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
556.50
2.5
8
13
231.51
12
(8R,21S)-13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaene
562.70
5.9
1
7
61.42
2
12-Hydroxy-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,17,22-trione
502.60
2.4
1
9
120.89
0
Carboxystrictosidine
574.60
-2.1
7
12
200.03
9
(1R,6S,7R,13S,21R)-7,13-bis(3,4-dihydroxyphenyl)-8,12,14-trioxapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2(11),3,9,15,17,19-hexaene-3,6,17,19,21-pentol
576.50
1.3
9
12
209.76
2
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