In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2004 | 20 | Yes |
Popular Name: 2-[[3-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-5-yl]thio]acetamide 2-[[3-[(4-chloro-3-methyl-phenox…
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) | 1.85 | 3.23 | -19.21 | 3 | 6 | 0 | 94 | 312.782 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.85 | 3.07 | -46.2 | 2 | 6 | -1 | 92 | 311.774 | 6 | ↓ |