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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
cyclo[Ala-Cys(1)-Pro-Arg-Ile-Leu-Gln-Lys-Cys(2)-Arg-Arg-Asn-Ser-Asp-Cys(3)-Pro-Ser-Ala-Cys(1)-Val-Cys(2)-Gln-Gly-Asn-Gly-Tyr-Cys(3)-Gly-Ser-Gly-Ser-D-Asp-Gly-Gly]
3439.80
-20.5
53
57
1683.45
44
(7aR)-7a-hydroxy-2-(2-phenylethyl)-3-sulfanylidene-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-one
276.36
1.6
1
3
75.87
3
7-[2,5-Dimethoxy-4-(3-methylbut-2-enoxy)phenyl]-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
464.50
5.7
1
7
87.36
6
(1S,2S,3R,4R,7R,10S,12S,13R,14R,15S,17R,19S,20R)-15-(furan-3-yl)-3,4,13,20-tetrahydroxy-2,7,14,20-tetramethyl-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icosane-5,8-dione
490.50
-1.2
4
10
159.19
1
[(1S,3S,5R,6aS,7R,8R,10S,10aS)-1-acetyloxy-10-hydroxy-3-methoxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylpropanoate
476.60
4.6
1
7
91.29
9
[(9S,10R)-3-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-1-methoxy-5,6,9,10-tetrahydronaphtho[1,2-f][1]benzofuran-10-yl]methyl acetate
462.50
4.3
2
7
94.45
6
2-[(2S)-butan-2-yl]-5,7-dihydroxychromen-4-one
234.25
2
2
4
70.67
2
cyclo[Ala-Cys(1)-Pro-Arg-Ile-Leu-Lys-Lys-Cys(2)-Arg-Arg-Asp-Ser-Asp-Cys(3)-Pro-Gly-Ala-Cys(1)-Val-Cys(2)-Arg-Gly-Asn-Gly-Tyr-Cys(3)-Gly-Ser-Gly-Ser-Asp-Gly-Gly]
3438.90
-20.7
54
57
1659.17
46
(7aR)-7a-hydroxy-2-prop-2-enyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
196.20
-0.3
1
3
60.85
2
cyclo[Ala-Cys(1)-Gly-Glu-xiThr-Cys(2)-Ile-Trp-Gly-Lys-Cys(3)-Tyr-Ser-Ala-Ser-Ile-Gly-Cys(1)-Ser-Cys(2)-Ser-Lys-Tyr-Lys-Val-Cys(3)-Thr-Leu-Asn-Gly-Asn-Pro-Gly]
3380.90
-10.4
47
54
1482.48
38
(1S,2S,4R,6Z,8S,11R,12R)-8,14,16-trihydroxy-3,3,7,11-tetramethyl-12-phenyl-19-oxatetracyclo[9.8.0.02,4.013,18]nonadeca-6,13,15,17-tetraene-15,17-dicarbaldehyde
490.60
5.6
3
6
104.06
3
(7aS)-2-(2-phenylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
244.29
1.8
0
2
40.62
3
Euphoscopoid E
524.60
5.4
0
7
95.97
7
(1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-17-ol
314.29
2.4
1
6
66.38
1
(1S,2S,3R,4R,7S,8S,10S,12R,14S,15R,17R,19S,20R)-3,4,8,20-tetrahydroxy-15-[(2S)-2-methoxy-5-oxo-2H-furan-4-yl]-2,7,14,20-tetramethyl-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icosan-5-one
522.50
-1
4
11
164.51
2
(1S,6S)-6-[(3R)-3-[(1'S,3R,5aR,7S,9aS)-7-hydroxy-1',6,6,9a-tetramethyl-3'-methylidenespiro[1,2,4,5,5a,7,8,9-octahydrocyclopenta[a]naphthalene-3,2'-cyclopentane]-1'-yl]butanoyl]-1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid
604.90
8.2
2
4
74.6
8
(E,6R)-6-[(1S,3R,6R,8R,11R,12S,13R,15R,16R)-13-hydroxy-6-methoxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid
486.70
7.7
2
4
66.76
6
(1S,2S,4R,8R,11R,12R)-8,14,16-trihydroxy-3,3,11-trimethyl-7-methylidene-12-phenyl-19-oxatetracyclo[9.8.0.02,4.013,18]nonadeca-13,15,17-triene-15,17-dicarbaldehyde
490.60
5.8
3
6
104.06
3
(1R,2R,4R,6R,7S,11S,16R)-1,7,11,15,15-pentamethyl-6-(5-oxo-1,2-dihydropyrrol-4-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-9,12-diene-14,18-dione
421.50
2.1
1
4
75.77
1
1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene
388.50
4.6
0
6
55.38
9
(3R)-5-[[(1S,3S,4R,4aR,8S,8aS)-8-hydroxy-5,8a-dimethyl-3-propan-2-yl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,4a,7,8-hexahydro-1H-naphthalen-1-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
560.60
-0.4
7
12
203.44
10
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2E,4S)-1-methyl-7-methylidene-8-oxo-4-propan-2-ylcyclodec-2-en-1-yl]oxyoxan-3-yl] (E)-3-phenylprop-2-enoate
528.60
4.1
3
8
122.52
8
(1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol
238.37
2.6
2
2
40.46
0
(2Z)-2-[(1R,3S,5R,10R,14S)-14-hydroxy-3-[(1E,3E)-4-[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]-2-methylbuta-1,3-dienyl]-14-methyl-4,6-dioxatricyclo[8.4.0.01,5]tetradecan-11-ylidene]propanal
484.70
4.2
2
5
75.99
5
cyclo[Ala-Cys(1)-Pro-Lys-Ile-Leu-Gln-Lys-Cys(2)-Arg-Arg-Asp-Ser-Asp-Cys(3)-Pro-Gly-Ala-Cys(1)-Val-Cys(2)-Gln-Gly-Asn-Gly-Tyr-Cys(3)-Gly-Ser-Gly-Ser-D-Asp-Gly-Gly]
3382.80
-21.4
50
57
1621.55
42
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