In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 34 | Yes |
Popular Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide N-[3-(4-benzylpiperazin-1-yl)pro…
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) | 2.89 | 9.79 | -54.9 | 2 | 7 | 1 | 66 | 465.618 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.89 | 9.81 | -52.72 | 2 | 7 | 1 | 66 | 465.618 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.89 | 7.42 | -17.36 | 1 | 7 | 0 | 65 | 464.61 | 10 | ↓ |