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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
(4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalene
410.70
11
0
0
0
9
N-demethylpuqietinone
415.70
5.7
2
3
49.33
2
(1R,2R,3R,6R,8S,12S,13S,14R,15R,16S,17R,19S)-2,3,12,15,16,19-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
426.40
-2.9
6
10
173.98
0
Flabellinol
426.60
7.4
2
3
49.69
1
1,4-Dihydroxynaphthalene
160.17
1.8
2
2
40.46
0
Belalloside B
448.40
0
4
10
151.98
8
(1R,2S,4S,5R,10R,11S)-5-hydroxy-16-[(1S)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-7,14(19),15,17-tetraen-9-one
466.60
2.5
2
6
91.82
2
n-Hentriacontan-4-one-10-ol
466.80
12.7
1
2
37.3
28
12-Deoxy-withastramonolide
470.60
4
2
6
96.36
3
1,5-Dimethylnaphthalene
156.22
4.4
0
0
0
0
(1S,2R,3S,12R,14S,17R,19R,22R)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-one
486.70
4.9
2
5
75.99
1
Glc(a1-6)Fruf(b2-1a)Glc
504.40
-5.8
11
16
268.68
8
Juliprosine
627.00
10.8
4
4
68.4
22
methyl 3-[4-[[(1S)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-hydroxybenzoate
668.70
5.7
1
10
116.23
11
(+)-lyoniresinol 4,4'-bis-O-beta-D-glucopyranoside
744.70
-1.6
10
18
276.14
13
1,3-Dipalmitoyl-2-oleoylglycerol
833.40
22.1
0
6
78.9
51
H-Tyr(SO3H)-Ile-Tyr(SO3H)-Thr-Gln-OH
846.90
-3.9
10
17
387
23
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (2S,3R,6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethylheptanoate
1241.40
-1.7
17
28
453.28
21
2-Methylbicyclo[3.1.1]hept-2-ene
108.18
2.2
0
0
0
0
(2R,3R)-2-methylbutane-1,2,3,4-tetrol
136.15
-2.2
4
4
80.92
3
Acetyl Octanoate
186.25
2.9
0
3
43.37
8
9-methoxy-6H-[1,3]dioxolo[4,5-g]chromen-6-one
220.18
1.7
0
5
57.9
1
Kessane
222.37
3.8
0
1
9.23
0
(3S,4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol
224.25
0.8
2
4
58.92
1
Leiocarpin A
234.25
0.9
1
4
55.76
1
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