In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 11th, 2010 | 23 | Yes |
Popular Name: (2R)-2-(4-benzylpiperazin-1-yl)-1-(1-piperidyl)propan-1-one (2R)-2-(4-benzylpiperazin-1-yl)-…
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) | 2.22 | 8.47 | -35.12 | 1 | 4 | 1 | 28 | 316.469 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.22 | 8.39 | -36.93 | 1 | 4 | 1 | 28 | 316.469 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.22 | 6.14 | -7.69 | 0 | 4 | 0 | 27 | 315.461 | 4 | ↓ |