In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2009 | 33 | Yes |
Popular Name: N-[[(3R)-1-[1-(cyclohexylmethyl)-4-piperidyl]-3-piperidyl]methyl]quinoline-6-carboxamide N-[[(3R)-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 | 12.09 | -48.13 | 2 | 5 | 1 | 50 | 449.663 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.62 | 14.11 | -123.02 | 3 | 5 | 2 | 51 | 450.671 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.62 | 11.9 | -46.4 | 2 | 5 | 1 | 50 | 449.663 | 6 | ↓ |