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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
28-Hydroxy-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
786.90
2.2
4
10
196.15
4
(1S,4R,7S,10S,13S,16S,28S)-28-hydroxy-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
786.90
2.2
4
10
196.15
4
4,8-Dimethylnon-7-enoic acid
184.27
3.4
1
2
37.3
6
Tsibulin 2
182.26
2.7
0
2
34.14
5
1-(3-Hydroxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)propan-2-one
244.29
0.1
1
3
52.9
2
Dimethyl 4-O-methylhexopyranosiduronate
236.22
-1.5
2
7
94.45
4
Diosgenin 3-[glucosyl-(1->6)-glucosyl-(1->4)-rhamnosyl-(1->4)[rhamnosyl-(1->2)]-glucoside]
1193.30
-2.4
14
26
393.98
13
Diosgenin 3-[glucosyl-(1->4)-[glucopyranosyl-(1->6)]-glucopyranosyl-(1->4)-rhamnosyl-(1->4)-[rhamnosyl-(1->2)]-glucoside]
1355.50
-4
17
31
473.13
16
7-Hydroxy-2',4',5'-trimethoxyisoflavan
316.30
3.2
1
5
57.15
4
4-Hydroxy-3-(3-methylbut-3-en-1-ynyl)benzoic acid
202.21
2.9
2
3
57.53
3
Ethyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
224.25
3.1
2
4
66.76
3
15-Methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-16-ol
325.40
2.9
1
5
51.16
1
(12S)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
325.40
2.8
1
5
48.95
2
[(2S,3R,4aS,4bR,6aS,7S,10aS,10bR,12S,12aR)-2-acetyl-12-acetyloxy-7-ethyl-4b,7,10a,12a-tetramethyl-1,2,3,4,4a,5,6,6a,8,9,10,10b,11,12-tetradecahydrochrysen-3-yl] acetate
488.70
7.2
0
5
69.67
6
[(1S,4aS,4bR,6S,6aR,10aS,10bR,12aS)-8-acetyl-1-ethyl-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate
428.60
7.6
0
3
43.37
4
(2R,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bR)-10-hydroxy-2,9-bis(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one
472.70
5.2
3
4
77.76
2
Isodonal
404.50
1.5
1
7
106.97
3
(3,9,10-Trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl)methyl acetate
406.50
0.4
3
7
113.29
3
[(1R,2S,3R,5S,8S,9S,10S,11R,12R)-3,9,10-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
406.50
0.4
3
7
113.29
3
[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-4,13-diacetyloxy-9-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl] (E)-2-methylbut-2-enoate
532.60
2.9
1
9
128.73
7
[(11S)-5-acetyloxy-12,12-dimethyl-6-propan-2-yl-4-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraenyl] acetate
384.50
5.6
0
4
52.6
5
3,4,4'-Trihydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
314.40
5.5
3
3
60.69
3
methyl (4R)-4-[(2S,4S)-4-hydroxy-6-methylheptan-2-yl]cyclohexene-1-carboxylate
268.39
4
1
3
46.53
7
methyl (4R)-4-[(2S,4R)-4-hydroxy-6-methylheptan-2-yl]cyclohexene-1-carboxylate
268.39
4
1
3
46.53
7
Juvabiol
268.39
4
1
3
46.53
7
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