In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 34 | Yes |
Popular Name: N-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-N-butyl-naphthalene-1-carboxamide N-[3-(4-benzylpiperazin-1-yl)-3-…
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) | 4.41 | 13.55 | -16.94 | 0 | 5 | 0 | 44 | 457.618 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.41 | 15.76 | -56.12 | 1 | 5 | 1 | 45 | 458.626 | 9 | ↓ |