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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
Tinocrisposide
536.60
1.2
4
11
165.12
6
7-acetyl-6-hydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
300.40
4.7
1
3
54.37
1
[(2S)-2-tetradecanoyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] octadecanoate
893.20
10.3
7
15
231.13
40
(5aS,10aR)-4-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,5a,8-tetrahydroxy-10a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one
708.70
6.3
8
12
214.44
6
(1S,8S,9S,16S)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol
470.50
3.8
6
7
130.61
2
Apigeninidin
290.70
3
4
71.99
1
5-[(E)-2-[(2R,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]benzene-1,3-diol
454.50
5.4
5
6
110.38
4
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
123.20
1.2
0
1
12.36
1
Paraquat dichloride
257.16
0
2
7.76
1
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-3-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
726.60
-2.5
11
19
308.12
8
Nicotinamide adenine dinucleotide
662.40
-6.1
6
18
343.54
11
[(2R,3S,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
447.40
0
6
11
189.93
7
Cubebin dimethyl ether
386.40
4
0
6
55.38
9
CID 15939543
436.50
0.3
5
9
138.07
8
Nigragillin
222.33
1.9
0
2
23.55
2
(1R,2R,9S)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
246.35
1.7
0
3
23.55
3
L-aspartate(1-)
132.09
-3.2
2
5
103.45
2
(5R,6S,7aS)-6-ethenyl-3,6-dimethyl-5-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]-4,5,7,7a-tetrahydro-1-benzofuran-2-one
410.50
0.7
4
8
125.68
6
Mitissimols C
250.33
1.7
2
3
57.53
0
3-[(3S)-7-hydroxy-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-6-methoxybenzene-1,2-diol
318.32
2.6
3
6
88.38
3
(3R)-2',3',7-trihydroxy-4'-methoxyisoflavan
288.29
2.6
3
5
79.15
2
(6R)-5,9,11,14-tetrahydroxy-3,3-dimethyl-6-prop-1-en-2-yl-6,7-dihydrochromeno[7,6-c]xanthen-8-one
434.40
4.8
4
7
120.36
1
(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-5-hydroperoxy-2-hydroxy-6-methylhept-6-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-ol
476.70
7.6
3
4
69.92
6
(2S,5R)-2-[(3S,4R,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4-(hydroxymethyl)-4,8,10,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-6-ene-2,5-diol
476.70
6.9
4
4
80.92
6
(1R,2R,5S,9R,10S)-5-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
264.36
1
1
3
43.78
0
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