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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5-Amino-2-azaniumylpentanoate
|
132.16
|
-3.8
|
2
|
3
|
93.79
|
3
|
|
|
CID 134898449
|
67.11
|
2.4
|
0
|
0
|
0
|
1
|
|
|
Akuammine
|
382.50
|
1.5
|
1
|
6
|
62.24
|
2
|
|
|
2,2-Dimethylcyclohexane-1-carbaldehyde
|
140.22
|
2.6
|
0
|
1
|
17.07
|
1
|
|
|
6-(3-Methyl-2-butenyl)-1-phenazinecarboxylic acid
|
292.30
|
4.1
|
1
|
4
|
63.08
|
3
|
|
|
(3S)-3,6-dimethyl-2,3-dihydro-1-benzofuran
|
148.20
|
2.6
|
0
|
1
|
9.23
|
0
|
|
|
(S)-Mevalonic acid
|
148.16
|
-1
|
3
|
4
|
77.76
|
4
|
|
|
(3R,4R)-3,7-dimethylocta-1,6-diene-3,4-diol
|
170.25
|
1.8
|
2
|
2
|
40.46
|
4
|
|
|
(1S,3R)-1,5-diphenylpentane-1,3-diol
|
256.34
|
3.1
|
2
|
2
|
40.46
|
6
|
|
|
4-[(1S,2S)-1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2,6-dimethoxyphenol
|
374.40
|
3.7
|
2
|
6
|
77.38
|
8
|
|
|
2,3,5-Trihydroxybenzoic acid
|
170.12
|
0.8
|
4
|
5
|
97.99
|
1
|
|
|
Pterosin Z
|
232.32
|
2.9
|
1
|
2
|
37.3
|
2
|
|
|
Pterosin F
|
236.73
|
3.8
|
0
|
1
|
17.07
|
2
|
|
|
4'-Hydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,4-biphenylquinone
|
312.40
|
4.2
|
1
|
3
|
54.37
|
3
|
|
|
(5R,8R)-3-hydroxy-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
|
232.32
|
4.4
|
1
|
2
|
37.3
|
2
|
|
|
5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxybenzene-1,3-diol
|
274.27
|
2.7
|
4
|
5
|
90.15
|
3
|
|
|
(Z)-4-Methoxy-3,3',5,5'-tetrahydroxystilbene
|
274.27
|
2.7
|
4
|
5
|
90.15
|
3
|
|
|
4-Hydroxybenzoic acid
|
138.12
|
1.6
|
2
|
3
|
57.53
|
1
|
|
|
Icosa-2,4,6,8,10-pentaenoic acid
|
302.50
|
7.4
|
1
|
2
|
37.3
|
13
|
|
|
Eranthin
|
274.27
|
1.4
|
2
|
5
|
79.9
|
1
|
|
|
Pterosin A
|
248.32
|
2.2
|
2
|
3
|
57.53
|
3
|
|
|
(6S,9S,10S)-9-bromo-10-chloro-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one
|
333.69
|
4
|
0
|
1
|
17.07
|
0
|
|
|
1-Oxacyclotridec-11-en-2-one
|
196.29
|
3.8
|
0
|
2
|
26.3
|
0
|
|
|
[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate
|
813.20
|
14.3
|
3
|
7
|
105.45
|
24
|
|
|
(2R,3'S,3aR,5R,5'S,6aR)-3'-bromo-5'-[(1R)-1-bromopropyl]-2-[(1S)-1-bromoprop-2-ynyl]spiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,2'-oxolane]
|
487.00
|
3.9
|
0
|
3
|
27.69
|
3
|
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