| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: 5-[4-[(1R)-1-methylpropyl]piperazin-1-yl]isoquinolin-8-amine 5-[4-[(1R)-1-methylpropyl]pipera…
| 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) | 2.64 | 7.94 | -82.28 | 4 | 4 | 2 | 48 | 286.423 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.64 | 5.63 | -4.69 | 2 | 4 | 0 | 45 | 284.407 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 7.47 | -35.83 | 3 | 4 | 1 | 47 | 285.415 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
