| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 20 | Yes |
Popular Name: (1S)-1-[2-(4-isoquinolyl)phenyl]-N-methyl-ethanamine (1S)-1-[2-(4-isoquinolyl)phenyl]…
| 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) | 4.06 | 8.76 | -40.83 | 2 | 2 | 1 | 29 | 263.364 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.06 | 7.61 | -5.46 | 1 | 2 | 0 | 25 | 262.356 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.06 | 9.22 | -86.84 | 3 | 2 | 2 | 31 | 264.372 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
