| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2010 | 21 | Yes |
Popular Name: 3-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2H-isoquinolin-1-one 3-[[(1S)-1-(4-bromophenyl)ethyl]…
| 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) | 4.46 | 8.84 | -9.54 | 2 | 3 | 0 | 45 | 343.224 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
