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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
Soyasaponin I
943.10
2.4
11
18
294.98
9
(1S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
136.23
3.1
0
0
0
0
Phytosphingosine
317.50
4.6
4
4
86.71
16
Ethene;2-methoxyphenol;phenol;propanedial
346.40
2
5
83.83
3
(1S,2R,6R,11S,14R,15R)-11-hydroxy-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-22-one
454.70
6.9
1
3
46.53
0
Methane;1-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-one
194.31
0
1
17.07
2
2-[(3R,8S,9R,10R,13R,16R)-3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-5-propan-2-ylfuran-3-one
762.90
1.5
6
13
201.67
6
H-D-Cys(1)-Tyr-Ile-Gln-Asn-D-Cys(1)-D-Pro-Arg-Gly-NH2
1050.20
-5.1
14
16
514.53
19
(3S,4S,5S,6R)-2-[(3R,4S,5S,6R)-2-[[(3S,6S,8R,9R,10R,12R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
947.20
1.6
12
18
298.14
12
[(E,6R)-6-[(2S,9R,13R,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
558.70
2.6
3
8
138.2
6
CID 122130677
485.50
3
8
138.2
7
6-(1-Hydroxy-pentyl)-4-methoxy-5,6-dihydro-pyran-2-one
214.26
1.6
1
4
55.76
5
2-Hydroxy-3-methoxyxanthone
242.23
2.6
1
4
59.67
1
1-Hydroxy-7-methoxyxanthone
242.23
3.1
1
4
59.67
1
9H-Xanthen-9-one, 3-hydroxy-2,4-dimethoxy-
272.25
2.5
1
5
68.9
2
Fluorene-9-14C
168.21
4.2
0
0
0
0
Kadsurenone
356.40
3.2
0
5
53.99
6
3-Nonanol
144.25
3.3
1
1
20.23
6
1b,6-Dihydroxy-6a-methyl-8-(prop-1-en-2-yl)hexahydrospiro[2,5-methanooxireno[3,4]cyclopenta[1,2-d]oxepine-7,2'-oxiran]-3(2h)-one
294.30
-0.5
2
6
91.82
1
2-(2,5-Dimethoxyphenyl)-2-hydroxyacetic acid
212.20
0.8
2
5
75.99
4
Decuroside I
570.50
-1.8
7
14
217.97
7
Pentyl propionate
144.21
2.4
0
2
26.3
6
(8S,9R,10R,13R,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
312.40
3.9
0
2
34.14
0
(8S,9R,10R,13R,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
312.40
3.9
0
2
34.14
0
5-[(1R,2S,4R,6R,7R,10R,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
384.50
3.7
1
4
62.97
1
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