In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 14th, 2007 | 31 | Yes |
Popular Name: fluoro-(5-methyl-2-pyridyl)-(4-methylsulfanylphenyl)-BLAHdione fluoro-(5-methyl-2-pyridyl)-(4-m…
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) | 3.69 | 2.6 | -9.92 | 0 | 5 | 0 | 63 | 432.476 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.69 | 2.82 | -34.07 | 1 | 5 | 1 | 64 | 433.484 | 3 | ↓ |