In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2006 | 25 | Yes |
Popular Name: 2-[[3-cyano-4-(2,4-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide 2-[[3-cyano-4-(2,4-dichloropheny…
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) | 4.47 | 8.02 | -13.48 | 2 | 4 | 0 | 80 | 392.311 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.47 | 8.23 | -46.6 | 3 | 4 | 1 | 81 | 393.319 | 4 | ↓ |