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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
Olean-12-ene-28,29-dioic acid,3-[(4-O-b-D-glucopyranosyl-b-D-xylopyranosyl)oxy]-2,23-dihydroxy-,29-methyl ester, (2b,3b,4a,20b)-
827.00
0.8
9
16
262.36
9
Tenacissoside L
833.00
0.4
7
16
224.68
10
Smilaside F
894.80
2.5
6
20
289.8
22
3-O-Galloylepigallocatechin-(4beta->6)-epicatechin-3-O-gallate
898.70
4.3
15
21
374.51
9
[(2R,3R,4S,5S)-5-[(2R,3R,4S,5S,6R)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
954.90
2.4
6
22
308.26
24
N,N-Dimethyl-l-leucine
159.23
-0.7
1
3
40.54
4
(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one
188.18
0.3
2
3
73.12
1
1,3,6-Trihydroxy-2-methoxyanthraquinone
286.24
2.3
3
6
104.06
1
(4aR,4bS,7S,8aS,10aS)-7-ethenyl-2-hydroxy-1,4b,7,10a-tetramethyl-4,4a,5,6,8,8a,9,10-octahydrophenanthren-3-one
302.50
5.5
1
2
37.3
1
Tagalsin B
316.40
4.8
1
3
49.83
1
3-Hydroxy-4',5,7-trimethoxyflavanone
330.30
2.3
1
6
74.22
4
Junosidine
337.40
4.2
1
5
60.69
1
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
345.40
2.6
3
4
86.63
8
Excoecarioside A
388.50
-0.9
5
8
136.68
7
Sugikurojin D
390.50
5
2
5
75.99
4
Formoxanthone A
394.40
5.3
3
6
100.13
2
stilbostemin I 2''-beta-D-glucopyranoside
436.50
0.3
5
9
138.07
8
Millewanin G
438.50
5.1
5
7
131.36
6
Tetradec-2-enal
210.36
5.9
0
1
17.07
11
2-methylpropyl (2S)-2-hydroxy-19-(4-hydroxyphenyl)nonadecanoate
462.70
10.7
2
4
66.76
22
Garcihombronane G
470.70
6.5
3
4
77.76
4
Lancifoicacid A
488.70
7
3
5
94.83
9
[(1S,3R,3aS,4S,8S,8aR)-1-acetyloxy-3-hydroxy-6,8a-dimethyl-8-[(E)-3-phenylprop-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] (Z)-2-methylbut-2-enoate
524.60
5.5
1
7
99.13
10
Scutebarbatine F
555.60
3
0
10
127.32
7
Gallomyrtucommulone B
570.60
0.8
7
13
220.51
8
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