| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2011 | 28 | Yes |
Popular Name: (1S)-1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methyl-1,4-dihydroisoquinolin-3-one (1S)-1-[4-(2,3-dimethylphenyl)pi…
| 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) | 2.98 | 11.29 | -12.32 | 0 | 5 | 0 | 44 | 377.488 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
