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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
Arabsin
266.33
1.5
1
4
63.6
0
[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
576.80
11.1
1
4
55.76
10
ST 28:1;O;Hex;FA 18:1
827.30
14.7
3
7
105.45
25
Assamsaponin E
1217.30
0.4
13
26
406.5
16
3-Methylpentyl glucosinolate
403.50
0.4
5
11
199.79
9
1-(2-Propenylsulfinyl)propyl propyl disulfide
238.40
2.7
0
4
86.88
8
1-Propenyl 1-(2-propenylsulfinyl)propyl disulfide
236.40
2.5
0
4
86.88
7
2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide
236.40
2.5
0
4
86.88
7
2-Propenyl 1-(propylsulfinyl)propyl disulfide
238.40
2.5
0
4
86.88
8
7-Epizucchini factor A
681.90
9.8
2
6
98.85
7
Fauronyl acetate
280.40
3.7
0
3
43.37
3
5,8-Epoxy-5,8-dihydro-12'-apo-b-carotene-3,12'-diol
384.60
5.4
2
3
49.69
6
3-hydroxy-17-[(E)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-7-[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
648.90
3.7
5
9
145.91
9
beta-Kessyl ketone
236.35
2.7
0
2
26.3
1
(3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
200.23
1.6
2
2
40.46
4
7-Ethyl-3,6-dihydro-1,4-dimethylazulene
186.29
2.7
0
0
0
1
6-[[8,9-diacetyloxy-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
1303.40
-0.4
13
29
449.87
20
Assamsaponin G
1261.40
-0.4
14
28
443.8
18
Assamsaponin H
1261.40
-1
14
28
443.8
18
Assamsaponin I
1261.40
-1
14
28
443.8
18
Trigoneoside XIb
907.00
-0.2
12
19
307.37
12
Assamsaponin J
1321.40
2.3
12
27
412.57
19
Achillicin
306.40
0.6
1
5
72.83
2
Heliantriol A1
458.70
6.7
3
3
60.69
1
Linalool 3,7-oxide beta-primeveroside
464.50
-2.2
6
11
167.53
6
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