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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
4-Hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
346.40
1.7
2
5
83.83
1
Gibberellin Ga115
362.40
0.8
3
6
111.9
3
22-Angeloyltheasapogenol A
588.80
5.7
5
7
127.45
5
(3b,16a,21b,22a)-12-Oleanene-3,16,21,23,28-pentol-22-angeloyloxy-23-al
586.80
5.6
4
7
124.29
5
22-Angeloylbarringtogenol C
572.80
6.4
4
6
107.22
4
HexCer 18:1;2O/16:0;O
716.00
10.5
7
9
168.94
33
4,5-Dihydroniveusin A
396.40
1.3
3
8
122.52
4
Jasmolone glucoside
342.40
-0.5
4
7
116.45
6
13-Oxocryptopine
383.40
2.5
0
7
74.3
2
Isofucosterol 3-O-[6-O-(9,12-Octadecadienoyl)-b-D-glucopyranoside]
837.30
14.1
3
7
105.45
24
1,2,6,8-Tetrahydroxy-3-methylanthraquinone 2-O-b-D-glucoside
448.40
0.6
7
11
194.21
3
Mahaleboside
324.28
-0.3
4
8
129.59
3
4-O-Caffeoyl-3-O-feruloylquinic acid
530.50
1.9
6
12
200.28
10
Pelargonidin 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(->4)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] 5-O-b-D-glucopyranoside
917.80
12
21
344.97
14
delta5-Demissine
1016.20
-0.8
12
21
319.84
11
Theaflavate B
700.60
2.3
10
15
264.13
5
3,4'-Dihydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
406.50
4.8
2
5
75.99
3
N2-Galacturonyl-L-lysine
322.31
-6.9
7
10
182.57
8
N6-Galacturonyl-L-lysine
322.31
-6.9
7
10
182.57
8
2-(hydroxymethyl)-6-[4-(1H-imidazol-2-ylmethyl)phenoxy]oxane-3,4,5-triol
336.34
0.2
5
7
128.06
5
2-(hydroxymethyl)-6-[4-(1H-imidazol-2-ylmethyl)-2-methoxyphenoxy]oxane-3,4,5-triol
366.40
-0.9
5
8
137.29
6
(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside
414.50
-0.4
5
8
136.68
5
Protoprimulagenin A 3-[glucosyl-(1->3)-galactosyl-(1->4)-[rhamnosyl-(1->2)]-glucuronide]
1103.20
0.2
12
23
359.97
11
5-[5-[3,4-Dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[(2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl)oxy]oxane-2-carboxylic acid
1235.40
-0.1
14
26
401.82
12
(Z)-4',6-Dihydroxyaurone 6-glucoside
416.40
1.1
5
9
145.91
4
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