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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
[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
479.40
-3.9
9
14
250.3
10
[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (2S)-2-amino-3-(1H-indol-3-yl)propanoate
528.50
-2.1
9
13
237.41
10
[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-aminoacetate
399.35
-4
8
13
221.62
8
methyl (2R)-2-acetyloxy-2-[(1R,2S,4S,5S,6S,10R,11R,12R,13R,14R,15R,17S,18S)-12,14-diacetyloxy-6-(furan-3-yl)-2,4,11,17-tetrahydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate
678.70
-0.3
4
15
225.56
10
methyl (2R)-2-hydroxy-2-[(1S,2R,4S,5S,6S,10R,11S,12R,13R,14R,15R,17S,18S)-4,12,14-triacetyloxy-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate
662.70
0.8
3
14
205.33
10
(1S,4aR,6aR,6aS,6bR,8aR,12aR,14bS)-1-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
470.70
5.8
2
4
74.6
1
(1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol
238.37
2.7
2
2
40.46
3
Fetidone B
234.33
2.3
1
2
37.3
0
leucasperones A
478.60
1.9
1
8
116.2
11
Atropuroside B
740.90
-0.1
8
14
217.22
4
Leucasperone B
436.50
1.3
2
7
110.13
9
CID 11844109
352.50
1.8
2
5
75.99
0
Leucasperoside A
788.90
-0.8
10
17
274.75
10
leucasperoside B
626.70
1.4
7
12
195.6
7
Leucasperoside C
772.90
-0.3
9
16
254.52
9
Atropuroside E
622.70
0.5
7
11
178.53
3
Atropuroside G
770.90
0.2
9
15
237.45
10
[(2S,3R,4R,5S,6S)-2-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 2-methylpropanoate
502.50
2.8
5
11
176.12
6
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-methylpropanoate
664.60
0.7
8
16
255.27
9
2-[(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-9-oxo-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-1-yl]prop-2-enal
438.70
8.2
0
2
34.14
2
Psoracorylifol A
288.40
3.9
2
3
49.69
4
(2R,3R)-2-(4-hydroxyphenyl)-8-[(2S,3S,4S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
546.50
3.1
8
10
180.3
3
2,4-Heptadienol
112.17
1.5
1
1
20.23
3
Galactitol
182.17
-3.1
6
6
121.38
5
Pacharin
270.28
3.6
2
4
58.92
1
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