| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2011 | 29 | Yes |
Popular Name: (1S)-1-(4-cyclohexylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-1,4-dihydroisoquinolin-3-one (1S)-1-(4-cyclohexylpiperazine-1…
| 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) | 2.37 | 9.71 | -51.23 | 1 | 6 | 1 | 54 | 400.543 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 7.55 | -10.58 | 0 | 6 | 0 | 53 | 399.535 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
