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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
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] octadeca-9,12,15-trienoate
745.00
11
3
10
158.63
39
[(2S)-1-hydroxy-3-icos-11-enoyloxypropan-2-yl] icosanoate
679.10
17.4
1
5
72.83
41
[(2S)-3-hydroxy-2-icosanoyloxypropyl] docos-13-enoate
707.20
18.5
1
5
72.83
43
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadec-11-enoyloxypropyl] octadecanoate
746.00
11.5
2
9
144.19
42
3,4a,5-Trimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one
234.33
3.5
0
2
26.3
0
[(2R)-2-octadec-11-enoyloxy-3-phosphonooxypropyl] octadec-9-enoate
701.00
13.2
2
8
129.17
38
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadec-11-enoyloxypropan-2-yl] icosanoate
774.10
12.6
2
9
144.19
44
[(2S)-2-icos-11-enoyloxy-3-octadec-9-enoyloxypropyl] icos-11-enoate
941.50
24.6
0
6
78.9
57
[(2S)-2-icosanoyloxy-3-octadec-9-enoyloxypropyl] icosanoate
945.60
26.4
0
6
78.9
59
[3-[(9Z,12E,15E)-octadeca-9,12,15-trienoyl]oxy-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12E,15E)-octadeca-9,12,15-trienoate
775.10
10
4
10
151.98
35
[(2R)-2,3-di(octadecanoyloxy)propyl] icos-11-enoate
917.50
25.3
0
6
78.9
57
[(2S,3R,4S,5S,6R)-5-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxymethyl]oxan-2-yl] (3S,4R,4aR,6aR,6aS,6bR,8aR,10R,12aR,14bR)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1915.00
-5
23
44
691.51
32
[(2S)-3-hydroxy-2-octadec-9-enoyloxypropyl] docosanoate
679.10
17.4
1
5
72.83
41
[(2R)-3-hexadecanoyloxy-2-octadec-9-enoyloxypropyl] icosanoate
889.50
24.3
0
6
78.9
55
[(2S)-3-hydroxy-2-octadec-11-enoyloxypropyl] docosanoate
679.10
17.4
1
5
72.83
41
[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[(2S,3R,4S,5S)-2-[(1R,2S,3'S,4R,4'S,5'S,6S,7S,8R,9R,12S,13R,14R,16R)-3',16-dihydroxy-5',7,9,13-tetramethyl-3-oxo-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]-14-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl] acetate
1159.20
-1.6
9
26
370.34
14
[(2R)-3-hexadecanoyloxy-2-octadecanoyloxypropyl] icos-11-enoate
889.50
24.3
0
6
78.9
55
[(1R,2S,3R,7S,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] (Z)-2-methylbut-2-enoate
418.40
1.1
1
8
108.36
6
[(3aR,4S,9aS,9bR)-4-hydroxy-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[8,7-b]furan-9-yl]methyl acetate
318.32
-0.1
1
6
89.9
3
[2-acetyloxy-4-[5-hydroxy-4-oxo-3,7-bis[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-2-yl]phenyl] acetate
710.60
-1.2
9
19
301.8
11
5-methyl-4-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]chromen-2-one
338.31
-0.7
4
8
129.59
3
(3aR,7S,8aR)-6-[(E)-3-hydroxybut-1-enyl]-7-methyl-3-methylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]furan-2-one
250.33
2.7
1
3
46.53
2
(3aR,7S,8aR)-6-[(1R)-1-hydroxy-2-oxopropyl]-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
250.29
1.1
1
4
63.6
2
2-[(2R,4aS,6R,8S,8aR)-6,8-dihydroxy-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]prop-2-enoic acid
254.32
1.8
3
4
77.76
2
methyl 2-[(2R,4aS,7R,8S,8aR)-7,8-dihydroxy-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]prop-2-enoate
268.35
2.1
2
4
66.76
3
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