In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 26 | Yes |
Popular Name: 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]-N,N-bis(3-pyridylmethyl)acetamide 2-[(3-ethyl-1H-1,2,4-triazol-5-y…
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) | 0.64 | 7.81 | -13.08 | 1 | 7 | 0 | 88 | 368.466 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.64 | 8.27 | -50.37 | 2 | 7 | 1 | 89 | 369.474 | 8 | ↓ |