In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2008 | 31 | Yes |
Popular Name: N-cyclohexyl-6-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-4-oxo-1H-quinoline-3-carboxamide N-cyclohexyl-6-[[(3S,5S)-3,5-dim…
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) | 2.65 | 8.74 | -43.37 | 2 | 7 | 0 | 99 | 445.585 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.95 | 8.33 | -51.37 | 1 | 7 | -1 | 102 | 444.577 | 4 | ↓ |