In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 14 | No |
Popular Name: 5-(3-bromo-5-fluoro-phenyl)-4H-1,2,4-triazole-3-thiol 5-(3-bromo-5-fluoro-phenyl)-4H-1…
None
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) | 3.12 | 6.15 | -22.54 | 2 | 3 | 0 | 43 | 274.118 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.12 | 5.69 | -45.25 | 1 | 3 | -1 | 42 | 273.11 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.12 | 6.1 | -38.16 | 1 | 3 | -1 | 42 | 273.11 | 1 | ↓ |