In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2009 | 19 | No |
Popular Name: 5-(3-chloro-4-fluoro-phenyl)-4-cyclopentyl-1,2,4-triazole-3-thiol 5-(3-chloro-4-fluoro-phenyl)-4-c…
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) | 3.73 | 9.73 | -12.62 | 1 | 3 | 0 | 34 | 297.786 | 2 | ↓ |
Mid Mid (pH 6-8) | 4.46 | 9.58 | -43.38 | 0 | 3 | -1 | 31 | 296.778 | 2 | ↓ |