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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
(3S,4aR,6aR,6aS,8aR,12aR,14aS,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-ol
426.70
9.3
1
1
20.23
0
(3S,4aS,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-ol
426.70
9.3
1
1
20.23
0
(1R,4S,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
376.40
-1.1
3
7
113.29
0
(1R,3R,6S,7S,8S,10R,11S,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
408.40
0.6
2
9
128.59
1
Neointermedeol
222.37
4.5
1
1
20.23
1
(4aS,6aR,6aS,8aR,12aR,14aS,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
424.70
9
0
1
17.07
0
(4aR,6aR,6aS,8aR,12aR,14aS,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
424.70
9
0
1
17.07
0
(4aS,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
424.70
9
0
1
17.07
0
Desacetylcinobufagin
400.50
2.8
2
5
83.2
1
Methyl 11,12-bis(acetyloxy)abieta-9(11),8(14),12-trien-20-oate
430.50
5.4
0
6
78.9
7
methyl (1R,9R,16R,18S,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7,14-tetraene-18-carboxylate
336.40
2.8
1
4
41.57
2
9-Decen-2-one
154.25
2.9
0
1
17.07
7
3-O-Acetylerythrodiol
484.80
8.1
1
3
46.53
3
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside
595.50
8
12
217.9
8
Xanthine
152.11
-0.7
3
3
94.4
0
(1S,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
248.36
1.6
0
2
23.55
0
1-Hepten-1-ol, acetate
156.22
2.9
0
2
26.3
6
(3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
288.25
1.8
4
6
107.22
1
Emodin-8-beta-D-glucoside
432.40
0.9
6
10
173.98
3
Gummiferin (dipotassium)
847.00
4
18
309.44
11
palmatosideA
536.50
-0.3
4
12
177.65
4
(4R)-4-hydroxy-3,5,5-trimethyl-4-[(3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one
388.50
-0.8
5
8
136.68
6
chrysosplenosid-C
522.50
1
6
13
197.74
7
3'-Di-o-methylellagic acid-4-o-a-rhamnoside
476.40
0.5
4
12
178.26
4
Acoforine
491.70
2.4
0
7
66.46
9
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