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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
Quercetin 3,7-diglucoside
626.50
-1.4
11
17
289.66
7
(1R,2R,6S,7R,8R,10R,11S,14S,15S,18S)-20-methoxy-7,8,14,15,19,19-hexamethyl-10-(3-methylbut-2-enoyloxy)-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
582.80
7.7
1
6
82.06
5
(1R,2S,6R,7S,8S,10S,11R,14R,15R,18R)-20-hydroxy-7,8,14,15,19,19-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-3-oxo-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
582.80
5.9
2
7
110.13
4
2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid
222.19
1.4
2
5
83.83
5
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S)-3,5-dihydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
767.00
3
7
13
196.99
6
Hydroxylunidin
335.40
0.6
2
6
90.15
4
H-bAla(2S-OH,3S-pentyl)-Val-N(Me)Ile-N(Me)Tyr-OH
578.70
1.5
5
8
173.5
17
2-[2-[2-[2,4-dihydroxy-6-methyl-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-oxoethyl]-6-hydroxy-4-methylphenyl]-7-hydroxy-5-methoxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
786.70
-0.6
12
18
317.73
9
(12S,13Z,16R)-11-hydroxy-13-[(2E)-2-[(12S,16R)-11-hydroxy-5,5,9-trimethyl-14,18-dioxo-15,17-dioxapentacyclo[9.5.2.01,10.04,9.012,16]octadecan-13-ylidene]ethylidene]-5,5,9-trimethyl-15,17-dioxapentacyclo[9.5.2.01,10.04,9.012,16]octadecane-14,18-dione
690.80
6.2
2
10
145.66
1
(1S,2S,5R,8S,10S,11R,13R)-7,10-dihydroxy-12,12-dimethyl-6-methylidene-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadecane-9,16-dione
346.40
0.4
2
5
83.83
0
(2R)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
622.90
9.5
3
7
105.45
25
(1S,4R,10S,11R,13S,16S)-11-hydroxy-11-methyl-4-prop-1-en-2-yl-14-oxatetracyclo[8.5.1.02,8.013,16]hexadec-2(8)-ene-6,9,15-trione
330.40
0.7
1
5
80.67
1
(1R,2S,4R,10S,11R,13S,16S)-11-hydroxy-11-methyl-4-prop-1-en-2-yl-14-oxatetracyclo[8.5.1.02,8.013,16]hexadec-7-ene-6,9,15-trione
330.40
1.3
1
5
80.67
1
(4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl) (E)-octadec-9-enoate
520.70
10.5
2
5
83.83
17
(8R,9S,10R,13S,14S,17Z)-10,13-dimethyl-17-(3-oxobutan-2-ylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
354.50
3.4
0
3
51.21
1
1H,3H-Furo[3,4-c]furan-3a(4H)-ol, 1-(3,4-dimethoxyphenyl)dihydro-4-(4-hydroxy-3-methoxyphenyl)-, (1S,3aS,4R,6aR)-
388.40
1.6
2
7
86.61
5
(3S,4S)-3-hydroxy-3,4-bis[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
698.70
-1.1
9
17
263.75
12
[(3R,3aS,6S,6aR)-6-(3,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl] acetate
430.40
2.1
1
8
92.68
7
(4aS,11bS)-4,4,7,11b-tetramethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-f][1]benzofuran
282.40
6.7
0
1
13.14
0
(1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol
376.40
1
4
7
108.61
9
(2S,4aS,5R,5'S,6S,8aS)-5'-(2-hydroxyethyl)-1,1,4a,5',6-pentamethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-ol
324.50
3.8
2
3
49.69
2
2-[(2R,5R,6R,8aS)-2-[(1S)-2-[2-[(2R,4aS,5R,6S)-6-(2-carboxypropan-2-yl)-2-ethenyl-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-5-yl]acetyl]oxy-1-hydroxyethyl]-5-(carboxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-6-yl]-2-methylpropanoic acid
720.90
5.4
4
11
176.89
13
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-6-hydroxy-6-methyl-5-methylideneheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
456.70
8.9
2
2
40.46
5
Isovitexin 7-(6'''-(E)-p-coumaroylglucoside)
740.70
0.2
10
17
286.5
10
(2Z,4Z)-N-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide
229.32
3.2
1
1
29.1
7
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