In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2004 | 28 | Yes |
Popular Name: 2-[[4-ethyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-thiazol-2-yl-acetamide 2-[[4-ethyl-5-[(4-isopropylpheno…
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) | 3.88 | 10.59 | -18.18 | 1 | 7 | 0 | 82 | 417.56 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.07 | 9.36 | -48.38 | 0 | 7 | -1 | 88 | 416.552 | 9 | ↓ |