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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
(1R,2S,5S,6S,9R,12S,13R,16S)-6,13-dimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
314.50
3.4
2
2
38.05
0
(1R,2S,9R,12S,13R,16S)-N,6,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-5,18-dien-16-amine
326.50
4
2
2
24.06
1
Conessimine
342.60
4.4
1
2
15.27
1
N,N-Dimethylconanin-5-en-3alpha-amine
356.60
4.9
0
2
6.48
1
(-)-alpha-Copaene
204.35
4.5
0
0
0
1
5,7,17,19-Tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaene
321.30
3.4
0
5
40.16
0
Corbisterol
410.70
8
1
1
20.23
5
(3I(2),5I(2))-3-(2,6-Dideoxy-I(2)-D-xylo-hexopyranosyl)-5,14,19-trihydroxycard-20(22)-enolide
536.70
0.2
5
9
145.91
4
CID 12303930
534.60
0.3
4
9
142.75
4
3-[14-hydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
518.60
1.3
4
8
125.68
3
Butein 4'-glucoside
434.40
1
7
10
177.14
6
Coreopsin
434.40
1
7
10
177.14
6
N-[(9S)-5-hydroxy-14-methoxy-6-oxo-16,18-dioxatetracyclo[10.7.0.02,8.015,19]nonadeca-1(19),2,4,7,12,14-hexaen-9-yl]acetamide
369.40
1.5
2
6
94.09
2
Corticrocin
246.26
2.8
2
4
74.6
7
16-Hydroxy-4,5,15-trimethoxy-10-methyl-10-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
352.40
3.3
1
5
68.87
3
Corynantheal
294.40
2.7
1
2
36.1
3
Fauwolscine, hydrochloride
390.90
3
4
65.56
2
Isorauhimbinic acid
340.40
0.3
3
4
76.56
1
(+)-Corypalmine
341.40
2.9
1
5
51.16
3
(6aR)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,11-diol
327.40
2.2
2
5
62.16
2
(E)-2,6-Dimethyl-1,3,5,7-octatetraene
134.22
4.4
0
0
0
3
Apigenin-7-O-glucoside
432.40
-0.1
6
10
170.05
4
CID 12304094
432.40
-0.1
6
10
170.05
4
7-(alpha-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
432.40
-0.1
6
10
170.05
4
2-(4a-Methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid
234.33
4.1
1
2
37.3
2
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