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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)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-octadeca-9,12,15-trienoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
758.00
8.7
3
11
181.49
39
(1S,2S,3S,4R,8R,9R,12S,14S)-8-formyl-12,14-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
378.40
-0.4
4
7
132.13
3
7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxychromen-4-one
640.50
-1.5
10
17
278.66
8
d-N-(carboxyacetyl) alanine
175.14
-0.8
3
5
103.7
4
6-[2-Carboxy-6-[6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3-hydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
944.70
0.7
12
25
405.86
14
(1S,4aR,5S,8aS)-5-[(4S)-4,5-dihydroxy-3-methylidenepentyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
336.50
3.7
3
4
77.76
6
5,7-dihydroxy-3-[4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one
416.40
1.4
5
9
149.82
3
(E,4S)-11-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl]-4,8-dimethyl-5-propan-2-ylideneundec-8-en-1-ol
428.70
9.4
1
1
20.23
10
[(2R)-3-octadecanoyloxy-2-octadec-9-enoyloxypropyl] icosanoate
917.50
25.3
0
6
78.9
57
(13R)-nonacosan-13-ol
424.80
14
1
1
20.23
26
7-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
772.70
-3
13
21
348.58
10
4-[6-(4-Hydroxy-3-methoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
374.40
2.6
2
7
86.61
5
(2R)-4-[(2S,13S)-13-[(2S,5S)-5-[(1R,6S)-1,6-dihydroxypentadecyl]oxolan-2-yl]-2,13-dihydroxy-8-oxotridecyl]-2-methyl-2H-furan-5-one
638.90
7.1
4
8
133.52
28
4-[(R)-hydroxy(methylaminomethoxy)methyl]phenol
183.20
0.3
3
4
61.72
4
Coleon O
388.50
0.7
2
6
100.9
2
7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione
262.30
1.9
0
4
60.44
6
2-[[17-[2-[6-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-4-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
917.10
2.3
11
17
277.91
13
4-[2-[1-carboxy-2-(1H-indol-3-yl)ethyl]iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
397.40
1.7
5
8
152.08
7
3-[[6-[3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
534.40
0.4
7
14
233.65
8
[(1R,2S,3S,7R,8S,9S,13S)-9-acetyloxy-13-(hydroxymethyl)-6-methylidene-5-oxo-4,12-dioxatetracyclo[8.5.0.02,13.03,7]pentadec-10-en-8-yl] (2R)-2-methylbutanoate
420.50
1.3
1
8
108.36
7
Methyl 2-[14-acetyloxy-6-(furan-3-yl)-16-hydroxy-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadecan-12-yl]acetate
530.60
2.9
1
9
121.5
6
(1R,2S,3'S,4R,4'S,5'S,6S,7S,8R,9R,12S,13R,14R,16R)-3',16-dihydroxy-14-[(2S,3R,4S,5S)-4-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethyl-4'-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-3-one
1033.10
-3.3
12
23
352.13
8
(1S,4S)-1-oxodithiolane-4-carboxylic acid
166.20
-0.8
1
5
98.88
1
(1R,11R,13S,16R,18R)-18-ethoxy-11-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
345.40
1.7
1
6
58.18
3
6-[[5-(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
654.50
-1.3
9
18
288.66
8
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