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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
Glycerol 1-(9Z-octadecenoate) 2-hexadecanoate 3-octadecanoate
861.40
23.2
0
6
78.9
53
Strophanthus acid
298.50
5.6
2
3
57.53
15
9-keto-11Z-octadecenoic acid
296.40
5.3
1
3
54.37
15
isourolithin B
212.20
2.7
1
3
50.44
0
(1R,4S,8R,9S,10R,13R,14S)-8-hydroxy-5,5,9,14-tetramethyl-7,15-dioxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-6-one
320.40
3.2
1
4
59.06
0
(4'R)-11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.04,12]dodecane]-'(12'),2,5,8',10'-pentaen-4-one
283.32
1.7
2
4
58.56
1
CID 131842452
828.00
3.2
4
13
163.63
9
(1S,2S,4S,5S,7R,8S,9R,10S,16R,28Z,33S,34S,36R,37R)-4,9,10,33-tetrahydroxy-1,8,13,29-tetramethyl-11,17,21,26,31-pentaoxadecacyclo[17.17.3.14,8.02,16.05,7.010,14.016,39.033,37.034,36.015,40]tetraconta-13,15(40),19(39),28-tetraene-12,18,22,25,30-pentone
734.70
-1.4
4
14
212.42
0
Sanggenofuran B
324.40
5.2
2
4
62.83
4
Salviaplebeiaside
462.40
0.6
5
10
162.98
9
Seco-neokadsuranic acid A
468.70
7.3
2
4
74.6
9
N-Methoxyanhydrovobasinediol
338.40
3
0
3
26.63
1
(3R)-3-[(4-hydroxyphenyl)methylsulfanylmethyl]piperazine-2,5-dione
266.32
0.5
3
4
103.73
4
15,16-Epoxy-15-ethoxy-6beta,13-dihydroxylabd-8-en-7-one
380.50
3.3
2
5
75.99
5
methyl (S)-3-formyl-1H-indole-2-sulfinate
223.25
1.4
1
4
78.37
3
(2R,3S)-2-ethyl-3-heptyloxirane
170.29
4.3
0
1
12.53
7
5-[(1R)-1-[(1R,4R,6S,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
472.60
6.2
4
6
115.06
7
30-Oxopseudotaraxasterol
440.70
8.2
1
2
37.3
1
[(1R,2S,5R,6S)-6-acetyloxy-5-benzoyloxy-1,2-dihydroxycyclohex-3-en-1-yl]methyl benzoate
426.40
2.1
2
8
119.36
9
Sophoracarpan A
300.30
2.6
1
5
57.15
2
(2S,3R,4S,5S,6R)-2-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
508.50
0
7
11
178.53
9
(2S)-N-[(2S)-1-[(1S,9S,10R,11S,12R)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carbonyl]pyrrolidin-2-yl]-2-methylbutanamide
630.70
4.2
3
8
126.79
9
Tetradecanedioic acid
258.35
4.3
2
4
74.6
13
methyl (1S,10S,12S,13E,18R)-18-(acetyloxymethyl)-13-ethylidene-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate
394.50
1.5
0
6
68.2
5
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methyl-2,3-dihydrochromen-4-one
318.28
1.8
5
7
127.45
1
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