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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
3-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
448.40
0.5
7
11
190.28
4
3-[3,4-Dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2,6-dioxo-4-pyrimidinecarboxylic acid
288.21
-2.6
5
8
162.08
3
Oryzanol A
602.90
12.1
1
4
55.76
9
10,17-Dioxosparteine
262.35
0.9
0
2
40.62
0
Oxyavicine
347.30
3.5
0
5
58.92
0
5-O-Methyloxyayanin-A
374.30
2.6
2
8
107.59
5
N-[17-[1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N,3-dimethylbut-2-enamide
442.70
7.5
0
2
23.55
4
Pachysamine B
442.70
7.5
0
2
23.55
4
[(3R,4R,5R,8S,9S,10R,13S,14S,17S)-3-[benzoyl(methyl)amino]-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
522.80
7.2
0
4
49.85
6
[17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-[methyl(3-methylbut-2-enoyl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
500.80
6.9
0
4
49.85
6
[(3R,4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-[methyl(3-methylbut-2-enoyl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
500.80
6.9
0
4
49.85
6
Blumeatin C; Taxifolin 7-methyl ether
318.28
1.8
4
7
116.45
2
Padmatin
318.28
1.8
4
7
116.45
2
S-[[2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl] ethanethioate
430.40
-1.9
4
11
177.28
6
7-(Acetylsulfanylmethyl)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
448.40
-2.7
6
12
208.51
7
[(1S,2R,3S,5S,6S,8R)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate
480.50
-1
5
11
164.37
7
Peonidin-3,5-O-di-beta-glucoside
625.60
10
15
259.75
8
Pallidine
327.40
1.9
1
5
59
2
(1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11R,11aR)a 3a,3b,6,6,9aapentamethyla1a[(2R)a2,6,6a trimethyloxana2ayl]ahexadecahydroa1Ha cyclopenta[a]phenanthrenea5,7,11atriol
476.70
5.5
3
4
69.92
1
(20S)-Panaxatriol
476.70
5.5
3
4
69.92
1
Parkeol
426.70
9.2
1
1
20.23
4
[1S-(1alpha,4alpha,7alpha)]-1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene
204.35
4.3
0
0
0
0
(+)-Pellotine
237.29
1.8
1
4
41.93
2
Peltogynin
298.25
1.9
3
6
100.13
0
5,6a,7,12a-Tetrahydroisochromeno[4,3-b]chromene-2,3,7,10-tetrol
302.28
0.8
4
6
99.38
0
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