In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2004 | 27 | No |
Popular Name: 1-(3,4-dihydroxyphenyl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone 1-(3,4-dihydroxyphenyl)-2-[[4-et…
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) | 3.06 | 6.32 | -18.49 | 2 | 7 | 0 | 97 | 385.445 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.06 | 7.25 | -52.57 | 1 | 7 | -1 | 100 | 384.437 | 7 | ↓ |