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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
[(1S,2S,3'S,4S,6S,7R,8R,9S,11S,12S,13S,16R,18S)-7,16-dihydroxy-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-11-yl] acetate
504.70
4.8
2
6
85.22
2
(2R)-2-[(1S)-1-[(8R,9S,10R,13S,14R,17S)-14,17-dihydroxy-10,13-dimethyl-1-oxo-2,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
486.60
1.6
4
7
124.29
3
(+)-Epi-Neoclausenamide
297.30
1.5
2
3
60.77
3
Neoclausenamide
297.30
1.5
2
3
60.77
3
(-)-Epi-Clausenamide
297.30
1.5
2
3
60.77
3
Platyconic acid B
1281.30
-3.2
16
30
476.42
17
Urolithin B 3-O-glucuronide
388.30
1.1
4
9
146.66
3
L-erythronic acid
136.10
-2.1
4
5
97.99
3
3,4-Dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridine
333.30
4.4
0
5
49.81
2
(2R,3R,4S,5S,6R)-2-[(3R)-6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
480.50
-0.1
8
11
189.53
5
4-[(5S)-2-(3,4-dihydroxyphenyl)-5-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol
318.32
1.5
5
6
110.38
3
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
754.60
-2.1
11
20
325.19
9
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
784.70
-2.2
11
21
334.42
10
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
770.60
-2.5
12
21
345.42
9
Acacetin 7-O-|A-D-glucuronopyranosyl-(1 inverted exclamation marku2)[|A-L-rhamnopyranosyl-(1 inverted exclamation marku6)]-|A-D-glucopyranoside
768.70
-1.8
10
20
314.19
10
Acacetin 7-O-|A-D-xylopyranosyl-(1 inverted exclamation marku2)[|A-L-rhamnopyranosyl-(1 inverted exclamation marku6)]-|A-D-glucopyranoside
724.70
-2
9
18
276.89
9
(1R,2R,3R,6R,7S,8R,9S,12S,13R,14R,15R,16R)-3,6,8,14,15-pentahydroxy-2,6,13,16-tetramethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-4-en-11-one
368.40
-0.6
5
7
127.45
0
methyl (1R,2S,3R,6R,8S,9S,10R,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate
608.60
0.9
3
13
192.19
8
[(2Z)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
262.40
5.5
0
2
26.3
10
2-Aminoethyl dihydrogen phosphate
141.06
-4.8
3
5
102.59
3
Catenarin
286.24
2.9
4
6
115.06
0
(3S,7S,8S,9R,10R,13R,14S,17R)-7-hydroxy-17-[(2S,3S,4S)-3-hydroxy-6-methyl-4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-4,4,13,14-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
813.00
1.1
10
15
256.29
11
Acetylfawcettiine
349.50
2.9
0
5
55.84
4
(2S,4R,6E)-2-hydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4-[(4-hydroxyphenyl)methyl]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexane-1,3,5-trione
718.70
-1.5
12
17
312.43
8
(4bR,7S,8aR)-4b-(3-hydroxypropyl)-7-methyl-7,8,8a,9-tetrahydro-6H-indeno[2,1-b]pyridin-5-one
259.34
1.8
1
3
50.19
3
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