In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2008 | 25 | Yes |
Popular Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide 2-[(3-cyano-5,6,7,8-tetrahydroqu…
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) | 4.41 | 10.47 | -13.01 | 1 | 4 | 0 | 66 | 351.475 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.41 | 10.7 | -46.32 | 2 | 4 | 1 | 67 | 352.483 | 5 | ↓ |