In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2009 | 33 | Yes |
Popular Name: N-[[(3S)-1-[1-(cyclohexylmethyl)-4-piperidyl]-3-piperidyl]methyl]quinoline-6-carboxamide N-[[(3S)-1-[1-(cyclohexylmethyl)…
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) | 4.62 | 11.98 | -49.03 | 2 | 5 | 1 | 50 | 449.663 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.62 | 14 | -121.81 | 3 | 5 | 2 | 51 | 450.671 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.62 | 11.74 | -45.81 | 2 | 5 | 1 | 50 | 449.663 | 6 | ↓ |