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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)-3-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-3-octadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
1464.00
29.5
3
17
256.57
85
[(2R)-3-[[(2S)-3-[[(2R)-2,3-bis[[(Z)-octadec-11-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
1462.00
28.6
3
17
256.57
84
CL(18:0/18:0/18:1(11Z)/18:2(9Z,12Z))
1460.00
27.9
3
17
256.57
83
[(2R)-3-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
1462.00
28.6
3
17
256.57
84
CL(18:0/18:1(11Z)/18:1(11Z)/18:1(11Z))
1460.00
27.7
3
17
256.57
83
CL(18:0/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))
1458.00
27
3
17
256.57
82
CL(18:0/18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
1456.00
26.3
3
17
256.57
81
CL(18:0/18:1(9Z)/18:1(11Z)/18:1(11Z))
1460.00
27.7
3
17
256.57
83
CL(18:0/18:1(9Z)/18:1(11Z)/18:2(9Z,12Z))
1458.00
27
3
17
256.57
82
CL(18:0/18:1(9Z)/18:1(9Z)/18:1(11Z))
1460.00
27.7
3
17
256.57
83
CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
1454.00
25.4
3
17
256.57
80
CL(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
1451.90
24.7
3
17
256.57
79
CL(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
1454.00
25.4
3
17
256.57
80
1,2-Diacetylethylene
112.13
-0.1
0
2
34.14
2
(E)-2-Methylcrotonoyl-CoA
845.60
-2.6
5
24
436.66
20
[(2R)-2-hexadecanoyloxy-3-octadecanoyloxypropyl] icosanoate
891.50
25.2
0
6
78.9
56
[(2R)-1-hexadecanoyloxy-3-icosanoyloxypropan-2-yl] docosanoate
947.60
27.4
0
6
78.9
60
[(2R)-1-icosanoyloxy-3-octadecanoyloxypropan-2-yl] docosanoate
975.60
28.4
0
6
78.9
62
[(2R)-2-hexadecanoyloxy-3-octadecanoyloxypropyl] docosanoate
919.50
26.3
0
6
78.9
58
Card-20(22)-enolide, 3-[(O-beta-D-glucopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3beta,5beta)-
927.10
1.2
8
18
261.98
10
3-[5-(1,2-Dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
464.40
0.4
8
12
210.51
5
(2S,3R,4R,5R,6S)-4,5,6-trihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
340.28
-4
7
11
186.37
3
(3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,9R,10S)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]oxan-2-yl]methoxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
943.10
-0.2
11
18
287.14
9
(1R,2S,6S,9R,10R,11R,14S,15S,18S,20S,23R)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
413.60
5.3
1
3
40.54
0
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aR,6bR,8R,8aS,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
975.10
-1.2
13
20
335.44
10
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