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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
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
446.70
7
3
3
60.69
5
Oxypinnatanine
260.24
-4.9
5
7
142.11
6
(3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one
215.20
-2.4
3
5
90.23
2
(3R,5R)-3,5-dihydroxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one
199.20
-1.2
2
4
70
1
(1R,28R,31R,48S)-6,7,8,11,17,18,19,30,36,37,38,41,42,43-tetradecahydroxy-2,13,21,26,29,32,47-heptaoxanonacyclo[26.20.0.04,9.010,24.012,22.015,20.031,48.034,39.040,45]octatetraconta-4,6,8,10,12(22),15,17,19,23,34,36,38,40,42,44-pentadecaene-3,14,25,33,46-pentone
934.60
1.6
14
26
433.18
0
[2-(7-Methoxy-2-oxochromen-8-yl)-3-methylbut-2-enyl] 3-methylbutanoate
344.40
4.7
0
5
65.74
7
[(1R,2R)-1-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl] 3-methylbutanoate
360.40
3.5
1
6
85.97
8
[(1R,2S)-1-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl] 3-methylbutanoate
360.40
3.5
1
6
85.97
8
8-(1-Hydroxy-3-methylbut-2-en-2-yl)-7-methoxychromen-2-one
260.28
2.9
1
4
59.67
3
Malyngamide A
553.10
4.9
0
6
85.38
19
Cyanidin-3-O-sophoroside
611.50
11
15
270.75
7
Cyanidin 3-sophoroside chloride
647.00
11
16
270.75
7
N-benzyl-9-[(2R,3R,4R,5R)-3,4-dimethoxy-5-[[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-N-methylpurin-6-amine
617.70
0.9
0
13
129.91
14
Ridentin B
264.32
0.9
2
4
66.76
0
(3aS,5aR,6R,8S,9aS,9bS)-6,8-dihydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
264.32
0.9
2
4
66.76
0
Heudelotinone
268.30
3.8
1
2
37.3
0
[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-(hydroxymethyl)but-2-enoyl]oxymethyl]but-2-enoate
458.50
1.2
2
8
119.36
9
[(E)-2-[[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl]oxycarbonyl]-4-hydroxybut-2-enyl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
474.50
-0.1
3
9
139.59
10
[(1S,4aS,5R,6R,8aR)-6-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate
366.50
4.3
2
4
66.76
7
(3E)-3-[(3,4-dihydroxyphenyl)methylidene]-5,7-dihydroxy-6-methoxychromen-4-one
330.29
2.4
4
7
116.45
2
Dalpanol O-glucoside
574.60
1.2
4
12
162.6
6
5-hydroxy-8-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
536.50
1.1
5
13
186.74
8
5,7-dihydroxy-6-methoxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(2,4,5-trimethoxyphenyl)chromen-4-one
536.50
0.4
6
13
197.74
7
(6R)-6-(2-hydroxypropan-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
410.40
2.7
1
7
87.36
3
15-Hydroxy-abietic-acid
318.40
3.4
2
3
57.53
2
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