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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
10-Desacetylbaccatin III
544.60
0.6
4
10
159.82
5
[(2R,4aR,5S,8aR)-1,1,4a,6-tetramethyl-8-oxo-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] acetate
438.50
4.2
0
6
82.81
5
4-[(2R,3S,4S,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenol
436.50
1.2
4
9
127.07
8
4-Methoxystyrene
134.17
3.1
0
1
9.23
2
Heptenol
114.19
2.8
1
1
20.23
4
3-[2-(4-Aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
514.60
4.9
1
6
69.88
9
(3Z)-6-methylhepta-3,5-dien-2-one
124.18
2
0
1
17.07
2
3/,4/-Di-O-acetyl-2/,6/-di-O-p-coumaroylastragalin
824.70
5.9
5
17
255.02
16
[(1S,4aR,6S,7S,7aS)-7-(acetyloxymethyl)-4a,6,7-trihydroxy-1-(3-methylbutanoyloxy)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl (2S)-3-methyl-2-(3-methylbutanoyloxy)butanoate
558.60
1.5
3
12
175.12
16
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
608.50
-0.8
8
15
238.2
7
(S)-2-Undecanol
172.31
4.5
1
1
20.23
8
(R)-2-Undecanol
172.31
4.5
1
1
20.23
8
2,5-Dimethylthiophene
112.19
2.4
0
1
28.24
0
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
300.30
3.5
2
5
75.99
5
Ethyl 3,3-dimethylacrylate
128.17
1.9
0
2
26.3
3
Dehydroryanodine
491.50
-1.1
7
9
172.7
4
[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
488.40
0.7
4
11
165.12
7
(2S,3R,4S,5R,6R)-2-[3-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
406.40
0.7
7
9
160.07
5
[(2S,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
562.50
-1.7
7
15
223.29
12
(2S,3R,4S,5R,6R)-2-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
406.40
1
7
9
160.07
5
(2S,3R,4R,5S,6R)-2-[(2S,3R,4R,5R,6S)-2-[[(2R,3R,5R,8R,9R,10S,12R,13R,14S,17S)-2,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
963.20
1.4
13
19
318.37
13
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
580.50
-2.5
11
15
271.2
4
(4S)-4-(hydroxymethyl)-5,5-dimethyl-3-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
346.37
-2.1
5
8
136.68
5
Hosenkoside F
949.10
0.3
12
19
307.37
11
Ligupurpuroside C
738.70
-0.9
9
17
263.75
13
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