In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2009 | 36 | Yes |
Popular Name: N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide N-[4-[(4-benzylpiperazin-1-yl)me…
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) | 3.40 | 11.24 | -48.48 | 2 | 7 | 1 | 66 | 485.608 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 11.17 | -49.6 | 2 | 7 | 1 | 66 | 485.608 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 8.86 | -15.75 | 1 | 7 | 0 | 65 | 484.6 | 8 | ↓ |