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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
Theasaponin F3
1261.40
0
13
28
432.8
18
Theasaponin G1
1173.30
-0.3
13
25
397.27
15
(2R)-Naringenin 8-C-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
582.50
-2.1
10
15
256.29
5
(3S,8S,9R,10R,13R,14S,17R)-3-hydroxy-17-[(E)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-7-oxo-1,2,3,8,10,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-9-carbaldehyde
470.70
4.8
2
4
74.6
5
(1R,4S,5S,8R,9R,12R,13S,16S)-16-hydroxy-5,9,17,17-tetramethyl-8-(4-oxopentan-2-yl)-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadecan-3-one
430.60
4.2
1
4
63.6
3
(2E,10E)-11-(1,3-benzodioxol-5-yl)-N-butan-2-ylundeca-2,10-dienamide
357.50
6.2
1
3
47.56
11
Acetoxy-[10]-gingerol
390.60
6.6
0
4
52.6
16
(2S,3R,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
611.50
11
15
270.75
7
CID 157009854
600.90
8.4
3
4
69.92
8
Allyl-1-propenyl tetrasulfide
210.40
3.2
0
4
101.2
6
Hexa-1,5-dienyl trisulfide
178.30
3.1
1
3
89.4
5
Prostaglandin A-1
336.50
4.4
2
4
74.6
13
Prostaglandin B-1
336.50
4
2
4
74.6
13
5-Stigmastene-3beta,7alpha-diol
430.70
8.2
2
2
40.46
6
1,5-Cineole
154.25
2.6
0
1
9.23
1
Dillanoside
470.40
2.2
5
10
159.05
4
14-Hydroxy-25-desoxyrollinicin
638.90
8.5
4
8
125.68
25
Indosterol
412.70
8.5
1
1
20.23
5
N-6-Isopent-2-enyl-adenosine
335.36
1.1
4
8
125.55
5
2,4-Methylene cholesterol
410.70
8.4
1
1
20.23
5
alpha-Amyrin-acetate
468.80
9.6
0
2
26.3
2
Quercetin 3-O-(2-O-beta-D-xylopyranosyl-beta-D-galactopyranoside)
596.50
-1.2
10
16
269.43
7
Haematin
634.50
3
8
164.6
7
Kaempferol 3-O-beta-D-xylofuranosyl-(1->2)-galactopyranoside
580.50
-0.3
9
15
249.2
7
(3S,10S,13R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
414.70
9.7
1
1
20.23
5
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