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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
p-Coumaroyl hexose
655.10
18.1
0
2
26.3
22
Dulcisxanthone A
872.80
2.1
2
21
282.46
19
Sphaerobioside acetate
872.80
2.8
1
21
271.46
20
10,14-Dihydroxy-11-methoxy-3,3-dimethyl-12-(3-methyl-2-butenyl)-[1]benzopyrano[5,6-b]xanthen-13(3H)-one
458.50
6.9
2
6
89.13
3
9-F1-Phytoprostane
328.40
2.4
4
5
97.99
11
[(2S)-2-[[(Z)-docos-13-enoyl]amino]-3-hydroxydocosyl] 2-(trimethylazaniumyl)ethyl phosphate
843.30
17.3
2
6
117.73
46
Cryptoxanthin-alpha
552.90
12.3
1
1
20.23
10
E-10 devinylajoene
208.40
1.1
0
4
86.88
6
[(2S)-2-hexadecanoyloxy-3-tridecanoyloxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
841.30
20.6
0
6
78.9
49
Farnesene-alpha
841.30
20.6
0
6
78.9
49
[(2S)-2-[(Z)-octadec-9-enoyl]oxy-3-tridecanoyloxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
841.30
20.3
0
6
78.9
49
[(E)-[6-methylsulfanyl-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylhexylidene]amino] sulfate
434.50
-0.2
4
12
227.92
10
[(E)-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylideneamino] sulfate
332.30
-1.9
4
11
202.62
4
[(2S)-2-heptadecanoyloxy-3-tetradecanoyloxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
841.30
20.6
0
6
78.9
49
[(2S)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-tridecanoyloxypropan-2-yl] icosanoate
869.40
21.7
0
6
78.9
51
Limonin (17-beta-D-glucoside-)
869.40
21.4
0
6
78.9
51
[(2S)-3-hexadecanoyloxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] nonadecanoate
869.40
21.7
0
6
78.9
51
Monotropein (6,7-dihydro-)
869.40
21.4
0
6
78.9
51
Noradrenaline (L-)
905.80
14
22
376.2
12
[(2S)-2-henicosanoyloxy-3-tridecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
907.40
22.1
0
6
78.9
52
Sabinene-hydrate (trans)
907.40
22.1
0
6
78.9
52
Sinensal-alpha
612.60
9
15
245.29
6
Sitosterol-beta
907.40
21.7
0
6
78.9
52
Spinasterol-alpha
879.40
20.6
0
6
78.9
50
Sulforaphane-N-acetyl-L-cysteine
879.40
20.6
0
6
78.9
50
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