In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2008 | 30 | Yes |
Popular Name: (3S)-1-(2-phenylpyrimidin-4-yl)-N-[3-(1-piperidyl)propyl]piperidine-3-carboxamide (3S)-1-(2-phenylpyrimidin-4-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) | 3.44 | 10.74 | -50.86 | 2 | 6 | 1 | 63 | 408.57 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.44 | 11.08 | -85.27 | 3 | 6 | 2 | 64 | 409.578 | 7 | ↓ |