In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2007 | 22 | Yes |
Popular Name: N-benzyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide N-benzyl-2-[(5-oxo-4-propyl-1H-1…
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) | 1.77 | 6.43 | -10.5 | 2 | 6 | 0 | 80 | 320.418 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 5.57 | -47.65 | 1 | 6 | -1 | 83 | 319.41 | 7 | ↓ |