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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
1-Palmitoyl-2-linoleoyl-3-oleoyl-glycerol
857.40
21.6
0
6
78.9
51
TG(18:1(9Z)/16:0/18:2(9Z,12Z))
857.40
21.6
0
6
78.9
51
Loniceroside C
1075.20
-0.3
13
22
353.9
12
Jatrophane 1
699.70
3.4
0
14
187.76
13
[(2S,3S,4R,4aS,4bR,7R,8aR,9R,10aS)-3-acetyloxy-7-ethenyl-2,8a,9-trihydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-2,3,4,4b,6,9,10,10a-octahydrophenanthren-4-yl] benzoate
528.60
2.2
3
9
147.43
6
[(2S,3S,4R,4aS,4bR,7R,8aR,9R,10aS)-2,9-diacetyloxy-7-ethenyl-3,8a-dihydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-2,3,4,4b,6,9,10,10a-octahydrophenanthren-4-yl] benzoate
570.60
2.8
2
10
153.5
8
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
1155.00
4.3
20
24
441.52
7
Avenanthramide 2
359.30
2.5
4
7
125.32
6
[(E,2S,3R,5S)-3,5-diacetyloxy-7-[(2R)-6-oxo-2,3-dihydropyran-2-yl]hept-6-en-2-yl] acetate
368.40
1.6
0
8
105.2
11
(2S,3S,4S,5R,6S)-6-[(3S,4R,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-9-acetyloxy-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
999.10
1.9
11
20
329.12
11
(2S,3S,4S,5R,6S)-6-[(1R,2R,5S,6R,9R,10R,11S,14R,15R,19S,21R)-10,21-bis(hydroxymethyl)-2,5,6,10,14-pentamethyl-22-oxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-yl]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
955.10
1.4
11
19
312.05
9
(3S,10S,13E)-10-butan-2-yl-6-[(2S)-2-(dimethylamino)-3-phenylpropanoyl]-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraene-8,11-dione
518.60
4.2
2
5
90.98
6
7-epi-alpha-Selinene
204.35
5.2
0
0
0
1
Forsythoside G
770.70
-1.7
10
19
293.21
15
4-[2-(hydroxymethyl)-6-[(2R,3R)-2-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol
494.50
2.2
5
9
138.07
6
4-[2-(hydroxymethyl)-6-[(2S,3S)-3-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol
494.50
2.2
5
9
138.07
6
4-[3-(hydroxymethyl)-6-[(2R,3R)-2-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol
494.50
2.2
5
9
138.07
6
4-[3-(hydroxymethyl)-6-[(2S,3S)-3-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-2-yl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol
494.50
2.2
5
9
138.07
6
[(1S,4R,5R,6R,7S,8R,11R,13S,14R,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] 2-methylpentanoate
496.60
2.1
4
9
142.75
5
methyl 3-[(2R,4aS,5S,6R,7S,8aS)-2-ethenyl-7-hydroxy-6-(2-hydroxypropan-2-yl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-5-yl]propanoate
368.50
3
2
5
75.99
6
methyl 2-[(1S,3R,5S,9R,10S,13S)-3-ethenyl-1,3,9-trimethyl-7-oxo-2,6-dioxatricyclo[7.3.1.05,13]tridecan-10-yl]-2-methylpropanoate
364.50
3.4
0
5
61.83
4
(4R,5R)-4-hydroxy-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one
268.26
-0.6
4
6
107.22
4
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-5-oxoheptane-3-sulfonic acid
424.50
1.9
4
8
149.74
10
1,7-Bis(3,4-dihydroxyphenyl)-5-oxoheptane-3-sulfonic acid
410.40
1.6
5
8
160.74
9
1,7-Bis(3,4-dihydroxy-5-methoxyphenyl)-5-oxoheptane-3-sulfonic acid
470.50
1.6
5
10
179.2
11
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