In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 29 | No |
Popular Name: 1-benzyl-4-[1-[(3-nitrophenyl)methyl]-4-piperidyl]piperazine 1-benzyl-4-[1-[(3-nitrophenyl)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) | 3.39 | 13.06 | -103.53 | 2 | 6 | 2 | 58 | 396.535 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.39 | 12.99 | -125.27 | 2 | 6 | 2 | 58 | 396.535 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.39 | 10.75 | -53.29 | 1 | 6 | 1 | 57 | 395.527 | 6 | ↓ |