In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 25 | Yes |
Popular Name: 3-[[(3R)-3-(benzofuran-2-yl)-3H-1,2,4-triazol-5-yl]sulfanylmethyl]benzoic 3-[[(3R)-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) | 4.36 | 10.47 | -55.79 | 1 | 6 | -1 | 95 | 350.379 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.36 | 10.26 | -107.64 | 0 | 6 | -2 | 93 | 349.371 | 5 | ↓ |