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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
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
911.10
2.1
9
17
271.59
8
Ukrain cation
1252.30
6.2
6
19
249.44
12
Gypenoside XLIX
1047.20
0.4
12
21
333.67
15
(3S,10R,13R,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
412.70
8.9
1
1
20.23
5
8-(3,7-dimethylocta-2,6-dienyl)-1-[8-(3,7-dimethylocta-2,6-dienyl)-2-hydroxy-7-methoxy-3-methyl-9H-carbazol-1-yl]-7-methoxy-3-methyl-9H-carbazol-2-ol
725.00
14
4
4
90.5
13
3-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
712.70
6.6
3
12
159.44
17
(E)-2-(3,7-dimethylocta-2,6-dien-1-yl)-5-pentylbenzene-1,3-diol
316.50
7.4
2
2
40.46
9
Miltirone
282.40
4.9
0
2
34.14
1
4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol;2-methylidenepentanedioate
311.29
3
8
153.84
4
2-(3-Methoxy-4-prop-2-enylphenyl)-4-prop-2-enylphenol
280.40
5.3
1
2
29.46
6
Arbusculin A
250.33
2.8
1
3
46.53
0
[(1S,2S,4R,5S,6R,7R,9R,12S)-5,12-diacetyloxy-6-(acetyloxymethyl)-4-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
532.60
2.6
1
10
134.66
10
2-(4-Cyclohexylphenoxy)ethanol
220.31
3.9
1
2
29.46
4
Perlolyrine
264.28
2.2
2
3
62.05
2
Lucidin primeveroside
564.50
-2.1
8
14
232.9
6
(2R)-4-[(13R)-13-hydroxy-13-[(2R,5S)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
590.90
12.2
2
5
75.99
27
Aloesin
394.40
-1.3
5
9
157.66
4
2-(4,5-Dihydroxy-2-methylphenyl)-4-methoxybenzenecarboperoxoic acid
290.27
2.5
3
6
96.22
4
(4aR,8aR)-4a,5-dimethyl-3-propan-2-ylidene-1,2,4,7,8,8a-hexahydronaphthalene
204.35
4.6
0
0
0
0
cimicifoetiside B
704.90
4.8
3
11
150.21
7
cimicifoetiside A
662.80
4.3
4
10
144.14
5
Cimigenol
488.70
5.2
3
5
79.15
1
[[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)-2-sulfanyl-oxan-2-yl]-3-oxidanyl-pent-4-enoyl]amino] hydrogen sulfate
405.40
-3.4
8
12
250.26
7
13-Oxo-9,11-octadecadienoic acid
294.40
5.2
1
3
54.37
14
[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate
478.50
0.3
5
12
213.95
8
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