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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
2,5-Dihydroxy-3-methyl-6-nonadec-14-enylcyclohexa-2,5-diene-1,4-dione
418.60
9.2
2
4
74.6
17
Pheophorbide b
606.70
2
3
10
150.01
7
Fumariline
351.40
3
0
6
57.23
0
Methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
238.24
1.8
1
5
64.99
5
Epsilon-pyrromycinone
428.40
2.7
5
9
161.59
3
[(2R,3S,4S,5S,6S)-5-[(2S,3S,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
1065.90
14
24
402.5
18
Digalactosyl diacyl glycerol (dgdg)
949.30
12.5
7
15
231.13
44
beta-Hydroxyasparagine
148.12
-5.1
4
5
126.64
3
Macrosporin
284.26
3
2
5
83.83
1
2'-Deoxyadenosine 5'-triphosphate
491.18
-4.4
6
16
288.33
8
Zeorin
444.70
8.5
2
2
40.46
1
(1R,2S,10R,13R,15R)-15-methyl-6,17-diazapentacyclo[8.6.1.01,6.02,10.02,13]heptadecane
246.39
2.8
1
2
15.27
0
(2S)-7-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one
596.50
-0.9
9
15
245.29
6
Lignan P
562.50
-0.2
5
13
182.83
6
3-(Benzo[d][1,3]dioxol-5-ylmethyl)-5,7-dihydroxy-8-methyl-4H-chromen-4-one
326.30
3.5
2
6
89.13
2
5-Hydroxytryptoline
188.23
1.1
3
2
48.05
0
beta-Peltatin A methyl ether
428.40
3.3
0
8
81.68
5
(6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
256.25
2.3
2
4
58.92
0
Aknadinine
359.40
1.7
1
6
68.23
3
Acrovestone
554.70
8
5
8
144.52
11
(2s,4As,6as,8ar,10s,12as,14as,14br)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene-2-carboxylic acid
456.70
7.2
2
3
57.53
1
[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-4-methylsulfonyl-N-sulfooxybutanimidothioate
439.50
-2.1
5
13
242.31
9
Justicidin A
394.40
4
0
7
72.45
4
(3R,3aR,6aR,8S,9S,9aR,9bS)-3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[4,5-b]furan-2-one
282.33
0.8
3
5
86.99
1
Bruceine A
522.50
0.7
3
11
165.89
6
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