| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 17 | Yes |
Popular Name: (4aS,8R,8aS)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[3,4-g]quinolin-8-ol (4aS,8R,8aS)-5-propyl-1,4,4a,6,7…
None
| 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) | 1.09 | 3.74 | -38.6 | 3 | 4 | 1 | 53 | 236.339 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.09 | 1.58 | -5.74 | 2 | 4 | 0 | 52 | 235.331 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.09 | 3.71 | -37.94 | 3 | 4 | 1 | 53 | 236.339 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4826986; US4977160; US5134143 | IBM Patent Data |
