In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 11th, 2009 | 28 | Yes |
Popular Name: 1-(1-piperidyl)-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]ethanone 1-(1-piperidyl)-2-[4-(2-pyrrolid…
None
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) | 0.61 | 9.11 | -49.68 | 1 | 7 | 1 | 61 | 386.52 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.61 | 6.89 | -14.41 | 0 | 7 | 0 | 60 | 385.512 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.61 | 8.21 | -41.32 | 1 | 7 | 1 | 61 | 386.52 | 4 | ↓ |