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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
Procyanidin B4
578.50
2.4
10
12
220.76
3
(2R,3R,4S,5S,6R)-2-[(E)-3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
520.50
0.3
6
11
167.53
9
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxane-3,4,5-triol
346.33
-2.2
5
9
141.37
4
(2R,3R,4S,5S,6R)-2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
332.39
-0.1
5
7
119.61
8
1'-OH-4-Keto-gamma-carotene/(Carotenoid K)
568.90
12.2
1
2
37.3
14
6-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
608.50
-1.1
9
15
249.2
7
Kaempferol-3,4'-diglucoside
610.50
-1.1
10
16
269.43
7
Kaempferol 3,4'-diglucoside
610.50
-1.1
10
16
269.43
7
3-[[3,4-Dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
664.60
-0.5
8
17
272.34
10
3-[[6-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
680.60
-0.9
9
18
292.57
10
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
624.50
-2.3
11
16
280.43
6
Dihydroformononetin
270.28
2.7
1
4
55.76
2
Dehydromaackiain
282.25
3
1
5
61.06
0
(2R,3R)-3,7-dihydroxyflavanone
256.25
2
2
4
66.76
1
Apigenin 5-O-beta-D-glucopyranoside; Apigenin 5-O-beta-D-glucoside; Apigenin 5-glucoside; Apigenin 5-beta-D-glucopyranoside
432.40
-0.6
6
10
170.05
4
Apigenin 5-O-beta-D-glucopyranoside
432.40
-0.6
6
10
170.05
4
3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
534.40
-0.3
7
14
233.65
8
Quercetin 3-(6''-malonyl-glucoside)
550.40
0.1
8
15
253.88
8
Benzyl b-primeveroside
402.40
-2.8
6
10
158.3
6
5,6-Dihydroxyindoline
151.16
1.2
3
3
52.49
0
9-(1,3-benzodioxol-5-yl)-4-[4-hydroxy-4-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxolan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
644.60
0.1
5
15
201.29
8
N-[4-(diaminomethylidenecarbamoylamino)butyl]-N-methylacetamide
229.28
-0.8
3
2
113.81
5
Pterocarinin A
1068.80
-0.8
19
30
525.1
5
2,4'-Dihydroxy-3',5'-dimethoxybibenzyl
274.31
3.4
2
4
58.92
5
(1R,3R,4S,6S,8R,10S)-4,10-dibromo-3-ethyl-8-[(E)-pent-2-en-4-ynyl]-2,7-dioxabicyclo[4.2.2]decane
392.13
4.2
0
2
18.46
3
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