In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 28 | Yes |
Popular Name: 2-[(5-tert-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methylphenoxy)phenyl]acetamide 2-[(5-tert-butyl-4H-1,2,4-triazo…
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) | 5.08 | 10.04 | -16.58 | 2 | 6 | 0 | 80 | 396.516 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.08 | 9.89 | -45.34 | 1 | 6 | -1 | 78 | 395.508 | 7 | ↓ |