In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2008 | 23 | Yes |
Popular Name: 2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile 2-[2-(4-fluorophenyl)-2-oxo-ethy…
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) | 4.05 | 10.48 | -11.17 | 0 | 3 | 0 | 54 | 326.396 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.05 | 10.69 | -47.63 | 1 | 3 | 1 | 55 | 327.404 | 4 | ↓ |