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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
1'-[1,2-Dieicosanoyl-sn-glycero-3-phospho],3'-[1-hexadecanoyl-2-eicosanoyl-sn-glycero-3-phospho]-sn-glycerol
1522.20
32.6
3
17
256.57
90
[(2R)-3-[[(2S)-3-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-icosanoyloxypropyl] icosanoate
1522.20
32.6
3
17
256.57
90
1'-[1,2-dieicosanoyl-sn-glycero-3-phospho],3'-[1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho]-sn-glycerol
1520.10
31.7
3
17
256.57
89
1'-[1,2-dieicosanoyl-sn-glycero-3-phospho],3'-[1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-sn-glycerol
1518.10
31
3
17
256.57
88
1'-[1,2-Dieicosanoyl-sn-glycero-3-phospho],3'-[1-octadecanoyl-2-eicosanoyl-sn-glycero-3-phospho]-sn-glycerol
1550.20
33.7
3
17
256.57
92
[(2R)-3-[[(2R)-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-icosanoyloxypropyl] icosanoate
1518.10
30.8
3
17
256.57
88
1'-[1,2-dieicosanoyl-sn-glycero-3-phospho],3'-[1-(9Z-octadecenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-sn-glycerol
1516.10
30.1
3
17
256.57
87
1'-[1,2-dieicosanoyl-sn-glycero-3-phospho],3'-[1-(9Z-octadecenoyl)-2-eicosanoyl-sn-glycero-3-phospho]-sn-glycerol
1548.20
32.8
3
17
256.57
91
CL(1'-[20:0/20:0],3'-[18:2(9Z,12Z)/18:2(9Z,12Z)])
1514.10
29.4
3
17
256.57
86
1'-[1,2-dieicosanoyl-sn-glycero-3-phospho],3'-[1-(9Z,12Z-octadecadienoyl)-2-eicosanoyl-sn-glycero-3-phospho]-sn-glycerol
1546.20
32.1
3
17
256.57
90
1',3'-Bis-[1,2-dieicosanoyl-sn-glycero-3-phospho]-sn-glycerol
1578.30
34.8
3
17
256.57
94
(1R,3R,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
354.31
-0.4
6
9
164.75
5
(3S,5S,8S,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
404.50
0.6
3
6
104.06
2
(4R,4aS,6aR,6aS,6bR,8aR,12aS,14aS,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
426.70
9.8
0
1
17.07
0
(4R,4aS,6aS,6aS,6bR,8aR,12aS,14aS,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
426.70
9.8
0
1
17.07
0
3-[(3S,5R,8R,9R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
390.50
1.6
3
5
86.99
1
(3S,8R,9R,10R,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
414.70
9.3
1
1
20.23
6
(3S,8R,9R,10R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
414.70
9.3
1
1
20.23
6
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
442.70
8.3
2
2
40.46
2
(3S,8R,9R,10R,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
412.70
8.6
1
1
20.23
5
Syriogenin
390.50
1.1
3
5
86.99
1
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3R,6R,8R,10R,12S,13S,14S,17S)-3,12-dihydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
785.00
3.2
9
13
218.99
9
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3R,8R,10R,12S,13S,14S,17S)-12-hydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-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)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
785.00
4
9
13
218.99
10
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
578.50
-0.1
8
14
228.97
5
3-((2,6-Dideoxy-3beta-O-methyl-lyxo-hexopyranosyl)oxy)-12alpha,20-epoxy-2beta-hydroxy-14beta,17alpha-pregn-5-ene-11,15-dione
504.60
1.2
2
8
111.52
3
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