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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
methyl (1S,4S,5R,9S,10S,12S,13R)-12-acetyloxy-14-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylate
388.50
4.1
0
5
69.67
5
Orcinol 1-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
418.40
-2
7
11
178.53
6
rostratin A
428.50
-1.2
4
8
172.14
0
2-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
446.40
0.6
5
10
159.05
5
Thermopsoside
462.40
0.8
6
11
179.28
5
(2S)-2-(3,4-dimethoxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
466.60
6.8
1
6
74.22
9
withanolide A
470.60
3.3
2
6
96.36
2
Fomefficinic acid C
486.70
6.7
3
4
77.76
6
(1S,2S,4S,5R,7R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-5,7-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadecan-9-one
488.60
2.1
3
7
116.59
2
(3S,7S,8S,9R,10R,13R,14S,17R)-3-hydroxy-7-methoxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
500.80
5.8
1
4
55.76
7
Neocaesalpin G
510.60
4.1
2
7
102.29
5
[(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoate
588.90
11.3
2
4
66.76
4
1-O-Deacetylohchinolide A
604.70
3.9
1
9
121.5
6
1-O-galloyl-6-O-luteoyl-alpha-D-glucose
634.50
-0.4
11
18
314.57
7
[(1S,2R,4S,6R,9E,11S,12S)-12-(benzoyloxymethyl)-4,9-dimethyl-15-propan-2-ylidene-11-(pyridine-3-carbonyloxy)-5-oxatricyclo[10.3.0.04,6]pentadec-9-en-2-yl] pyridine-3-carboxylate
650.80
6
0
9
117.21
10
[(2S,2'S,4S,4'R,5'R,5'aS,6'S,8'S,9'aR,10'S,10'aS)-8'-acetyloxy-2',4',5',6'-tetrahydroxy-2-(4-hydroxyphenyl)-10'a-(2-hydroxypropan-2-yl)-3',5'a-dimethylspiro[1,3-dioxolane-4,9'-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulene]-10'-yl] benzoate
668.70
0.8
6
12
192.44
7
[(1R,2R,4S,6R,9E,11S,12S)-12-(benzoyloxymethyl)-15-(2-hydroperoxypropan-2-yl)-4,9-dimethyl-11-(pyridine-3-carbonyloxy)-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-2-yl] pyridine-3-carboxylate
682.80
4.5
1
11
146.67
12
Acacetin 7-O-(6 inverted exclamation marka inverted exclamation marka-O-|A-L-rhamnopyranosyl-|A-sophoroside)
754.70
-2.1
10
19
297.12
10
1,2,4,6-Tetra-o-galloyl-beta-d-glucose
788.60
1.5
13
22
377.42
13
cyclo[Gly-Ser-Ser-Trp-Leu-Pro-Leu-Pro]
838.00
1.5
9
10
271.47
8
TG(16:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
851.30
19.5
0
6
78.9
48
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aS,12aS,14aR,14bR)-7,8-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
1283.40
-1.8
18
29
473.51
15
(6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
152.15
-0.1
1
3
46.53
0
2-Amino-5-(methylsulfanyl)pentanoic acid
163.24
-2.8
2
4
88.62
5
(+)-Calamenene
202.33
5.1
0
0
0
1
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