In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 26 | No |
Popular Name: 4-[2-[[(3R)-3-(benzofuran-2-yl)-3H-1,2,4-triazol-5-yl]sulfanyl]ethoxy]benzaldehyde 4-[2-[[(3R)-3-(benzofuran-2-yl)-…
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) | 4.35 | 9.25 | -16.97 | 1 | 6 | 0 | 81 | 365.414 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.35 | 9.05 | -50.89 | 0 | 6 | -1 | 79 | 364.406 | 7 | ↓ |