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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
(E)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-enoic acid
234.33
4
1
2
37.3
4
(3R,5R)-1,7-diphenylheptane-3,5-diol
284.40
4
2
2
40.46
8
9,10-Anthracenedione, 1,6-dihydroxy-5-methoxy-2-(methoxymethyl)-
314.29
2.3
2
6
93.06
3
Homocapsaicin II
319.40
4.1
2
3
58.56
10
2,5-Dihydro-6-hydroxy-3-methyl-8-(2-phenylethyl)-1-benzoxepin-9-carboxylic acid
324.40
3.9
2
4
66.76
4
3,3a(2),4a(2)-Tri-O-methylellagic acid
344.30
2.1
1
8
108.34
3
2,2,3,3-Tetramethylbutane
114.23
3.7
0
0
0
1
Isopentenyl-Adenine-9-glucoside
365.38
0.5
5
9
145.78
5
(3E,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one
370.40
3.6
1
6
74.22
6
4-[[(2S,3S,6R)-3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one
388.40
2.3
2
7
102.27
4
Dichotomain B
468.40
-2
5
12
181.44
3
Calocedimers B
490.80
10.8
0
1
9.23
4
(2S)-8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
556.50
4.9
5
10
162.98
4
Gallomyrtucommulone D
568.60
0.8
7
13
220.51
7
kaempferol 7-O-(2-E-p-coumaroyl-alpha-L-rhamnopyranoside)
578.50
3.5
6
12
196.35
7
Myrtucommulone E
632.80
7.9
1
8
124.04
4
(3R,4R)-3-hydroxy-3-[[4-hydroxy-3-[2-hydroxy-5-[[(3R,4R)-4-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxooxolan-3-yl]methyl]-3-methoxyphenyl]-5-methoxyphenyl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
746.80
4.7
6
14
210.9
13
[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(3-hydroxy-4-methoxyphenyl)-5,6-dimethoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
784.70
0.6
7
18
262.73
14
[4-[(2S,3S,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]-3,5-dihydroxyphenyl]methyl 4-hydroxy-3,5-dimethoxybenzoate
820.70
-3
12
22
342.9
15
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1091.20
-0.3
14
23
374.13
13
Ginsenoside Rd
947.20
2.4
12
18
298.14
13
3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
550.70
1.3
4
9
134.91
4
15-Hexadecenoic acid
254.41
6.6
1
2
37.3
14
4-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)butan-2-one
262.40
4.8
0
1
17.07
3
6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-4-methoxypyran-2-one
274.27
2.4
1
5
68.9
4
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