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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
Sandaracopimarinol
288.50
5.6
1
1
20.23
2
Pinifolic Acid
336.50
4.7
2
4
74.6
6
trans-(-)-p-Menth-1-en-3-ol
154.25
2.1
1
1
20.23
1
Pisatoside
261.23
-2.5
5
7
128.48
3
3-(I(2)-D-Glucopyranosyloxy)-1,3-dihydro-2H-pyrrol-2-one
261.23
-2.5
5
7
128.48
3
Piscerythrone
384.40
4.2
4
7
120.36
4
2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol
259.30
2.5
1
4
51.58
2
Platycodigenin
520.70
4
6
7
138.45
3
16,17-Dimethoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14,16,18-tetraene-12,20-dione
424.50
0.2
0
6
68.31
2
Novacine
424.50
0.2
0
6
68.31
2
Ojv-VI
855.00
1
8
16
235.68
6
CID 12314426
504.70
5.2
5
6
118.22
2
(4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
504.70
5.2
5
6
118.22
2
(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2S,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
496.60
-0.3
7
8
158.68
5
2-(3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methyl-5-methylideneheptanoic acid
486.70
6.7
3
4
77.76
6
Pomonic acid
470.70
5.6
2
4
74.6
1
3-Oxopomolic acid
470.70
5.6
2
4
74.6
1
Ponasteroside A
626.80
0.3
8
11
197.37
8
5-Hydroxy-2,2-dimethyl-6-(2-methylbutanoyl)-10-phenylpyrano[2,3-f]chromen-8-one
404.50
5.3
1
5
76.74
4
4,5,15,16-Tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),12,14-heptaene-8,11-dione
381.40
1
0
6
75.99
4
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5-Ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
412.70
8.6
1
1
20.23
5
Posthumulone
334.40
3.4
3
5
94.83
6
Priverogenin A
472.70
5.7
3
4
77.76
1
Priverogenin B
474.70
5.6
3
4
69.92
0
Collettiside I
576.80
4.1
4
8
117.84
3
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