| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2011 | 22 | Yes |
Popular Name: (2S,3S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-pentan-3-amine (2S,3S)-2-(3,4-dihydro-1H-isoqui…
| 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) | 4.00 | 8.3 | -43.62 | 3 | 2 | 1 | 31 | 295.45 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.00 | 8.12 | -3.12 | 2 | 2 | 0 | 29 | 294.442 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.00 | 9.75 | -119.54 | 4 | 2 | 2 | 32 | 296.458 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.00 | 9.46 | -30.89 | 3 | 2 | 1 | 30 | 295.45 | 4 | ↓ |
