| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2011 | 26 | Yes |
Popular Name: (1S)-1-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-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) | 2.39 | 9.71 | -53.81 | 1 | 5 | 1 | 45 | 356.49 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 7.54 | -11.36 | 0 | 5 | 0 | 44 | 355.482 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
