In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2004 | 27 | Yes |
Popular Name: 2-[(3-cyano-7-ethoxy-2-quinolyl)thio]-N-[(1S,2R)-2-methylcyclohexyl]acetamide 2-[(3-cyano-7-ethoxy-2-quinolyl)…
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) | 4.23 | 0.43 | -13.68 | 1 | 5 | 0 | 75 | 383.517 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.23 | 0.57 | -41.97 | 2 | 5 | 1 | 76 | 384.525 | 6 | ↓ |