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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
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide;(6E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-26-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-2,6,11,15,20,24-hexamethylhexacosa-2,6,9,11,13,15,17,19,21,23,25-undecaen-8-one;(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one;(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one;(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
2633.00
7
12
227.99
56
Ternatin 4
1330.10
18
33
545.25
25
CID 11982167
131.15
1.9
0
1
17.07
1
Silidianin
482.40
0.8
5
10
162.98
3
9H-Pyrano(2,3-f)-1,4-benzodioxin-9-one, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-, trans-(+-)-
386.40
2.1
2
8
107.59
4
Kurarinone
438.50
5.6
3
6
96.22
7
(2S)-2'-methoxykurarinone
452.50
5.9
2
6
85.22
8
Cedrenol
220.35
3.6
1
1
20.23
0
7alpha-Hydroxyfrullanolide
248.32
1.8
1
3
46.53
0
1,5,6-Trimethoxyphenanthrene-2,7-diol
300.30
3.6
2
5
68.15
3
caulerpal A
288.34
2.3
1
4
63.6
4
caulerpal B
260.33
2.3
1
3
46.53
3
1-Ketoaethiopinone
310.40
4.3
0
3
51.21
5
4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-
144.12
-0.4
2
4
66.76
0
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-benzo[g]isochromen-10-yl]oxy]oxane-3,4,5-triol
538.50
-1.1
8
13
207.99
6
(2R,3R)-1,4-diphenylbutane-2,3-diol
242.31
2.9
2
2
40.46
5
2,6-Dimethyl-1,5,7-octatrien-3-ol
152.23
3.2
1
1
20.23
4
Myrtanyl acetate
196.29
3.1
0
2
26.3
3
2-Pinen-10-yl isobutyrate
222.32
3.2
0
2
26.3
4
3,7,11,15-Tetramethylhexadec-1-yn-3-ol
294.50
7.3
1
1
20.23
13
1-Hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone
402.40
0.9
5
9
153.75
3
Dihydrophaseic acid
282.33
0.9
3
5
86.99
3
Epi-dihydrophaseic acid
282.33
0.9
3
5
86.99
3
L-mannaric acid
210.14
-2.5
6
8
155.52
5
Campest-4-en-3-one
398.70
8.8
0
1
17.07
5
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