In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 29th, 2007 | 32 | Yes |
Popular Name: N-cycloheptyl-6-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-oxo-1H-quinoline-3-carboxamide N-cycloheptyl-6-[(3,5-dimethyl-1…
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) | 3.15 | 7.96 | -18.64 | 2 | 7 | 0 | 99 | 459.612 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.52 | 4.33 | -47.22 | 1 | 7 | -1 | 106 | 458.604 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.22 | 7.67 | -52.34 | 3 | 7 | 1 | 104 | 460.62 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.45 | 7.78 | -56.26 | 1 | 7 | -1 | 102 | 458.604 | 4 | ↓ |