In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2011 | 23 | Yes |
Popular Name: N-(1-ethyl-4-piperidyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide N-(1-ethyl-4-piperidyl)-2-[(2S)-…
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) | 1.11 | 7.68 | -87.72 | 3 | 6 | 2 | 56 | 321.469 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.11 | 5.73 | -43.53 | 2 | 6 | 1 | 55 | 320.461 | 5 | ↓ |