In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 28 | Yes |
Popular Name: N-(2-acetylphenyl)-2-[[(3S)-3-(benzofuran-2-yl)-3H-1,2,4-triazol-5-yl]sulfanyl]acetamide N-(2-acetylphenyl)-2-[[(3S)-3-(b…
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) | 3.53 | 9.12 | -15.64 | 2 | 7 | 0 | 101 | 392.44 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.53 | 8.92 | -55.52 | 1 | 7 | -1 | 99 | 391.432 | 6 | ↓ |