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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
[(1R,2S,7R,8S)-2,6,6-trimethyl-9-tricyclo[5.4.0.02,8]undec-9-enyl]methanol
220.35
3.4
1
1
20.23
1
(1S,4aS,5S,8aR)-5-[(1E,3E)-5-hydroxy-3-methylpenta-1,3-dienyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
318.40
4.4
2
3
57.53
4
(2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid
486.70
4.9
4
5
97.99
2
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3,5-dihydroxyoxane-2-carboxylic acid
794.90
5.2
7
15
246.81
11
1-[(3aR,4R,5S,7aR)-3a,4,5,6,7,7a-Hexahydro-5-hydroxy-3a,4-dimethyl-1H-inden-2-yl]ethanone
208.30
2
1
2
37.3
1
Epoxyeremopetasinorol
224.30
1.2
1
3
49.83
1
Xylocensin K
486.60
1.9
1
8
112.27
4
beta-Santaldiol
236.35
2.8
2
2
40.46
5
3,7-Dimethyl-2,5-octadien-1,7-diol
170.25
1.3
2
2
40.46
4
Herbertenolide
230.30
4
0
2
26.3
0
(2Z)-2-[13,14,15,18,19,20,35,36-octahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.04,25.07,26.011,16.017,22.034,38]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-29-ylidene]acetic acid
936.60
1.2
12
26
426.86
4
7,8,9,12,13,14,24,25,26,29,30,31,34,35,36,45-Hexadecahydroxy-15-(7,8,9,12,13,14,24,25,26,29,30,31,34,35,36-pentadecahydroxy-4,17,22,39,43-pentaoxo-3,18,21,40,42-pentaoxanonacyclo[26.13.3.123,27.137,41.02,20.05,10.011,16.032,44.033,38]hexatetraconta-5,7,9,11,13,15,23,25,27(46),28(44),29,31,33(38),34,36-pentadecaen-45-yl)-3,18,21,40,42-pentaoxanonacyclo[26.13.3.123,27.137,41.02,20.05,10.011,16.032,44.033,38]hexatetraconta-5,7,9,11(16),12,14,23,25,27(46),28(44),29,31,33(38),34,36-pentadecaene-4,17,22,39,43-pentone
1851.20
2.5
31
51
890.13
1
(8,9,9,13,14,26,27,28,31,32,33-Undecahydroxy-4,7,17,23,36-pentaoxo-3,18,22,37,38,40-hexaoxaoctacyclo[18.17.1.12,19.18,12.05,10.011,16.024,29.030,35]tetraconta-5,11,13,15,24,26,28,30,32,34-decaen-39-yl) 3,4,5-trihydroxybenzoate
952.60
-0.6
14
27
450.25
3
12,13,17,18,18,32,33,42,43-Nonahydroxy-5,8,23,26,28,35,40,46,49-nonaoxadecacyclo[23.19.3.114,17.130,34.02,41.03,37.06,24.07,27.010,15.016,21]nonatetraconta-1(44),2(41),10,12,14,20,30,32,34(48),42-decaene-4,9,19,22,29,36,39,45-octone
922.60
-1.5
9
26
401.7
0
Methyl icosa-5,11,14-trienoate
320.50
7.1
0
2
26.3
16
Hexadec-2-enoic acid
254.41
7
1
2
37.3
13
5,7-Dimethoxy-2-methyl-8-(3-methylbut-2-enyl)chromen-4-one
288.34
3.8
0
4
48.67
4
Methyl 5-methoxy-8,8-dimethyl-4-oxopyrano[2,3-h]chromene-2-carboxylate
316.30
2.5
0
6
74.97
3
cyclo[Ala-Gly-Gly-Leu-Leu-Gly-Ala-Val-Trp]
825.00
1.8
10
9
277.69
7
cyclo[Ala-Gly-Thr-Ile-Phe-Gly-Phe]
693.80
1.9
8
8
223.93
7
(R)-3-Hydroxy-2-oxobutanoicacid
118.09
-0.6
2
4
74.6
2
Methyl (7Z,9Z,9'Z)-6'-apo-y-caroten-6'-oate
472.70
11.7
0
2
26.3
14
Murrayamine O
349.50
4.8
2
2
45.25
0
(16R,19R,21R)-12,15,15,19-tetramethyl-14-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11-hexaen-19-ol
349.50
4.8
2
2
45.25
0
Echiupinine (7-senecioylintermedine)
381.50
1.6
2
7
96.3
9
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