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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
Mastigophorene A
466.70
9.2
4
4
80.92
3
O-Ethyl-4-[(2',3',4'-tri-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate
467.50
1.9
1
10
135.69
12
(1R,5R,8S,11R,14S,17R,18S,21S,24R)-21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid
472.70
7.2
2
4
66.76
1
(1S,3R,8R,11S,12S,14S,15R,16R)-14-Hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
472.70
5.4
2
4
66.76
2
9-methoxy-7-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
474.40
0.8
4
11
157.28
5
(3S,4S,6aR,6bS,8aR,9R,11S,12aS,14aR,14bR)-4,11-bis(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
474.70
5.5
4
4
80.92
2
7-O-methylgarcinone
478.60
8.2
3
6
100.13
7
3,5,7-trihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)chromen-4-one
480.40
-0.7
10
13
241.74
3
6''-O-Acetylastragalin
490.40
0.7
6
12
196.35
6
Betaine aspartate
250.25
3
7
140.75
4
Orcinol
124.14
1.6
2
2
40.46
0
Caulophyllogenin
488.70
6.2
4
5
97.99
2
(3R,4R,5R)-5-[(2S,3R)-4-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carbonyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid
514.40
0.6
7
12
211.28
7
(11R,12R,24S,25S)-12-hydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1,3(7),8(22),16,18,20-hexaen-13-one
514.60
4.7
1
9
101.91
3
Segetalin G
518.60
0.3
7
7
191.75
7
Lycernuic acid C
522.70
4.5
6
7
138.45
2
[3,4-dihydroxy-2,5-bis(4-hydroxyphenyl)-6-[(Z)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoyl]oxyphenyl] (Z)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoate
546.50
4
4
10
158.58
10
[(5R,6R,8R,9S,10S,13R,14R,15S)-5-chloro-17-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,14-dihydroxy-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-15-yl] acetate
547.10
3.2
2
7
110.13
4
Casearborin C
554.60
4.9
2
9
128.59
10
Phorone
138.21
2.8
0
1
17.07
2
[5-(5-Hexanoyloxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] hexanoate
570.60
6.6
0
10
119.73
17
[(1S,4R,5R,6S)-4-(1,3-benzodioxol-5-yl)-5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
570.70
5.2
0
6
77.54
5
1-Tetracontanol
579.10
20.3
1
1
20.23
38
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy]-
580.50
-0.8
9
15
249.2
6
(-)-2|A-O-(|A-D-Glucopyranosyl)lyoniresinol
582.60
0.4
7
13
196.99
10
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