| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2011 | 27 | Yes |
Popular Name: (1R)-2-benzyl-1-(4-methylpiperazine-1-carbonyl)-1,4-dihydroisoquinolin-3-one (1R)-2-benzyl-1-(4-methylpiperaz…
| 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) | 1.88 | 10.91 | -62.07 | 1 | 5 | 1 | 45 | 364.469 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 8.56 | -14.64 | 0 | 5 | 0 | 44 | 363.461 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
