In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 25 | Yes |
Popular Name: N-(2-acetamidoethyl)-3-(1H-1,2,4-triazol-3-ylsulfanylmethyl)benzofuran-2-carboxamide N-(2-acetamidoethyl)-3-(1H-1,2,4…
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) | 0.74 | 4.47 | -15.36 | 3 | 8 | 0 | 113 | 359.411 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.74 | 4.28 | -52.82 | 2 | 8 | -1 | 111 | 358.403 | 7 | ↓ |