| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 20 | Yes |
Popular Name: 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzyl-ethanamine 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-o…
| 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) | 3.70 | 9.23 | -32.79 | 2 | 2 | 1 | 16 | 273.444 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.70 | 10.58 | -121.46 | 3 | 2 | 2 | 21 | 274.452 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.70 | 8.44 | -40.72 | 2 | 2 | 1 | 20 | 273.444 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
