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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
Valine-betaxanthin
310.30
0.9
4
8
136.29
6
Theasaponin A1
1191.30
-0.8
15
26
420.66
15
Theasaponin E7
1231.30
-0.4
13
27
423.57
17
Theasaponin H1
1203.30
0.6
13
26
406.5
16
3-(Butan-2-yl)-3,4,8-trihydroxy-7-methyl-8-(propan-2-yl)-3,4,11,13,15,16,16a,16b-octahydro-7H-[1,5,10]trioxacyclotetradecino[7,8,9-gh]pyrrolizine-2,5,9(8H)-trione
469.50
0.8
3
10
142.83
3
Spiracine
485.50
0.1
4
11
163.06
3
Cembrane
280.50
9.4
0
0
0
1
Meliatoxin A1
658.70
2.2
2
12
171.33
9
Trichilin B
674.70
1.7
3
13
191.56
9
3,10,11-Trihydroxydibenz[b,e]oxonin-7,13(6h,8h)-dione
300.26
1.8
3
6
104.06
0
3-Deoxysappanone B
286.28
2.3
3
5
86.99
2
ZT72DJ66LU
342.40
2.8
0
5
65.74
1
2,7-Dihydroxycadalene
230.30
4.3
2
2
40.46
1
4H-Dibenzo(de,g)quinoline-2,7-diol, 5,6,6a,7-tetrahydro-1-methoxy-, (6aS,7R)-
283.32
1.5
3
4
61.72
1
(2R,3R,4S,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
771.70
12
19
318.67
10
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
564.50
-1.3
9
14
239.97
5
L-8-Oxotetrahydropalmatine
369.40
2.9
0
5
57.23
4
Decentapicrin A
478.40
1
4
11
161.21
7
Quinamine
312.40
2.1
2
4
44.73
2
(2R,3R,4S,5S,6R)-2-[(E)-5-[(1R,4aS,6R,8aS)-5,5,8a-trimethyl-2-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
630.80
1.4
8
12
198.76
10
3-(Ethylsulfanyl)pentane
132.27
3.1
0
1
25.3
4
Thiophene, 2,3,4-trimethyl-
126.22
2.7
0
1
28.24
0
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethyl-, (2S)-
300.30
3.1
3
5
86.99
1
4H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-9-(4-(((1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (6aR)-
594.70
5.8
3
8
94.86
6
2H-1-Benzopyran-2-one, 8-((2S)-2-hydroxy-3-methyl-3-butenyl)-5,7-dimethoxy-
290.31
2.7
1
5
68.9
5
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