In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2006 | 21 | Yes |
Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[(5-isopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide N-(3-chloro-4-fluoro-phenyl)-2-[…
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) | 3.03 | 6.37 | -12.77 | 2 | 5 | 0 | 71 | 328.8 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.03 | 6.17 | -44.61 | 1 | 5 | -1 | 69 | 327.792 | 5 | ↓ |