| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2010 | 25 | Yes |
Popular Name: 3,4-dihydro-1H-isoquinolin-2-yl-[6-[(3S)-3-methylpiperazin-1-yl]-3-pyridyl]methanone 3,4-dihydro-1H-isoquinolin-2-yl-…
| 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) | 1.48 | 8.58 | -48.23 | 2 | 5 | 1 | 53 | 337.447 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.48 | 7.32 | -8.96 | 1 | 5 | 0 | 48 | 336.439 | 2 | ↓ |
