In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2009 | 31 | Yes |
Popular Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-6-[(4-fluorobenzoyl)amino]quinoline-4-carboxylic 2-[(3S,5S)-3,5-dimethyl-1-piperi…
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) | 4.85 | 10.38 | -49.69 | 1 | 6 | -1 | 85 | 420.464 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.85 | 10.62 | -43.57 | 2 | 6 | 0 | 87 | 421.472 | 4 | ↓ |