In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 28 | Yes |
Popular Name: 2-[[(3S)-3-(benzofuran-2-yl)-3H-1,2,4-triazol-5-yl]sulfanyl]-N-(3-ethoxyphenyl)acetamide 2-[[(3S)-3-(benzofuran-2-yl)-3H-…
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) | 4.09 | 8.39 | -13.83 | 2 | 7 | 0 | 93 | 394.456 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.09 | 8.19 | -50.27 | 1 | 7 | -1 | 91 | 393.448 | 7 | ↓ |