In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 27 | Yes |
Popular Name: N-(o-tolylmethyl)-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]acetamide N-(o-tolylmethyl)-2-[4-[2-oxo-2-…
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) | 1.90 | 7.61 | -44.3 | 2 | 6 | 1 | 57 | 373.521 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.90 | 5.37 | -15.15 | 1 | 6 | 0 | 56 | 372.513 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.90 | 7.6 | -43.12 | 2 | 6 | 1 | 57 | 373.521 | 6 | ↓ |