In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 29 | Yes |
Popular Name: 2-[[5-(benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridylmethyl)acetamide 2-[[5-(benzofuran-2-yl)-4-propyl…
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) | 3.09 | 10.15 | -13.89 | 1 | 7 | 0 | 86 | 407.499 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.09 | 10.62 | -45.72 | 2 | 7 | 1 | 87 | 408.507 | 8 | ↓ |