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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,3S,4S,5R,6R)-6-[(2S,3S)-2,3-dihydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
536.50
-0.1
6
12
184.6
12
3-[(3S,5S,9S,10R,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
536.70
0.2
5
9
145.91
4
(1R,2S,5S,6S,9R,12S,13R,16S,18R)-2-hydroxy-16-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-2'-oxospiro[7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosane-6,4'-oxolane]-13-carbaldehyde
548.70
1.4
2
9
120.75
4
N-methyltyrosyl-N-methyltyrosyl-leucyl-alanine
556.60
0.7
6
8
168.3
14
(2Z,4E)-1-[(1R,2R,6S)-2-(3,4-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)cyclohex-3-en-1-yl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dien-1-one
558.60
6.2
3
8
114.68
10
(1R,2S,5S,6S,9R,12S,13S,16S,18S)-2,18-dihydroxy-16-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-2'-oxospiro[7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosane-6,4'-oxolane]-13-carbaldehyde
564.70
0.8
3
10
140.98
4
Lindoldhamine (R,R)
568.70
5.1
5
8
112.44
8
4-[[7,9-Dihydroxy-2,2,4,4-tetramethyl-8-(2-methylpropanoyl)-1,3,3a,9b-tetrahydrocyclopenta[c]chromen-6-yl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
568.70
6.8
4
8
141.36
6
[(1S,2S,4S,6R,7S,9R,13S,14R,15S,16S,17S)-4-acetyloxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate
570.60
4.4
0
10
123.66
6
Isorabaichromone
572.60
1.4
6
12
196.35
9
[(1S,3R,5S,7R,9S,10S,12R,14R,15S,18R,19R,22S,23R)-10,22-dihydroxy-14-(hydroxymethyl)-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-9-yl] acetate
576.70
1.6
3
10
140.98
4
3-Pyridinecarboxaldehyde
107.11
0.3
0
2
29.96
1
Ligurobustoside M
592.60
-2.6
9
15
237.45
9
Casearborin E
596.70
5.5
1
10
134.66
12
(2S,3R,4S,5R)-2-[[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21S,22R)-2-hydroxy-3,8,8,17,19-pentamethyl-22-prop-1-en-2-yl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol
602.80
5
4
8
117.84
3
Cryptophycin D
604.70
6.4
2
7
120.03
8
Quercetin 3-O-robinobioside
610.50
-1.3
10
16
269.43
6
3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
610.50
-0.9
10
16
269.43
7
(2S)-2-methyl-4-[(2R,8S,9R,13R)-2,8,9,13-tetrahydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
612.90
7.4
5
8
136.68
26
4H-1-Benzopyran-4-one, 3-[(4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-
620.60
0.5
7
15
235.04
7
annoglacin B
624.90
9.5
4
7
116.45
28
Cryptophycin 29
625.10
6.5
2
7
120.03
8
7-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxychromen-4-one
626.50
-1.1
11
17
289.66
6
5-hydroxy-5-methyl-3-[(2R,6R,13R)-2,6,13-trihydroxy-13-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]-8-oxotridecyl]furan-2-one
626.90
6
5
9
153.75
26
[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenoxy]-4,5-dihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
638.60
3
7
14
229.74
12
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