| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 25 | Yes |
Popular Name: 1-piperazinepropanamine, 4-[[2-(1-methylethoxy)-1-naphthalenyl]methyl]- 1-piperazinepropanamine, 4-[[2-(…
| 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) | 2.62 | 7.77 | -89.56 | 4 | 4 | 2 | 45 | 343.515 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 5.48 | -45.52 | 3 | 4 | 1 | 43 | 342.507 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 7.76 | -107.69 | 4 | 4 | 2 | 45 | 343.515 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
