| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2011 | 21 | Yes |
Popular Name: (2S)-3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-2-phenyl-propan-1-ol (2S)-3-[(4aR,8aS)-3,4,4a,5,6,7,8…
| 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) | 2.95 | 5.76 | -30.03 | 4 | 3 | 1 | 51 | 289.443 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.95 | 4.03 | -2.79 | 3 | 3 | 0 | 49 | 288.435 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.95 | 4.23 | -44.5 | 4 | 3 | 1 | 51 | 289.443 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.95 | 5.98 | -118.57 | 5 | 3 | 2 | 52 | 290.451 | 4 | ↓ |
