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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
(25R)-3-beta-Hydroxy-5-alpha-spirostan-12-one
430.60
4.8
1
4
55.76
0
(2S,4aS,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
470.70
6.4
2
4
74.6
1
(2R,3R,4R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
358.30
-5
9
12
217.6
8
(7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
271.31
0.3
3
4
61.72
0
Prostaglandin E-2
352.50
2.8
3
5
94.83
12
S-Petasin
334.50
4.1
0
4
68.67
5
Quercitrin hydrate
466.40
8
12
221.78
3
Sedoheptulose anhydride monohydrate
210.18
5
7
130.88
1
(5S)-17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
416.70
10.2
1
1
20.23
6
Tyloxapol, nonionic surfactant
298.40
3
4
77.76
4
CID 16220051
816.90
-0.3
11
16
311.82
19
(Z)-3-Hexenyl Angelate
182.26
3.1
0
2
26.3
6
cis-3-Hexenyl crotonate
168.23
2.7
0
2
26.3
6
calenduloside G6'-O-methyl ester
809.00
4.9
7
14
221.9
8
Pisiferic acid
316.40
5.2
2
3
57.53
2
Hexadecyldimethylamine
269.50
8
0
1
3.24
15
(4S,15R,16R,18S)-15-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-5,7,9,11-tetraen-4-ol
312.40
1.6
1
4
48.36
1
3-(4-Hydroxyphenyl)Propanamide
165.19
0.5
2
2
63.32
3
(1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
390.34
-3.8
7
11
186.37
5
Propyl 2-methylbutyrate
144.21
2.4
0
2
26.3
5
Norpseudoephedrine
151.21
0.8
2
2
46.25
2
(2S,3R,4R,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
463.40
7
10
180.6
5
5-Ethyl-2,4-dimethylthiazole
141.24
2.6
0
2
41.13
1
Aloenin
410.40
0
5
10
159.05
5
(R)-3,5,9-Trioxa-4-phosphahentriacont-22-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxo-13-docosenyl)oxy]-, 4-oxide
898.30
18.1
0
8
121
50
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