Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
2.44 |
13.46 |
-19.5 |
4 |
14 |
0 |
197 |
702.904 |
19 |
↓
|
|
Mid
Mid (pH 6-8)
|
2.44 |
14.05 |
-41.46 |
5 |
14 |
1 |
198 |
703.912 |
19 |
↓
|
|
Lo
Low (pH 4.5-6)
|
2.44 |
14.51 |
-80.98 |
6 |
14 |
2 |
199 |
704.92 |
19 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| Indications |
asthenia, fatigue |
KeyOrganics Bioactives |
| PUBCHEM_PATENT_ID |
EP0452926A2; EP0452926B1; EP0725776A1; EP0725776B1; EP0834316A1; EP0929303A2; EP0994867A1; US5100906; US5236942; US5331002; US5668117; US5863925; US6096742; US6117855; WO1995001096A1; WO1995031194A1; WO1998015277A2; WO1999001444A1 |
IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
