In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 2006 | 29 | No |
Popular Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-nitro-phenyl)-acetamide 2-[[5-(4-ethylphenyl)-1H-1,2,4-t…
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) | 4.09 | 9.28 | -22.34 | 2 | 9 | 0 | 126 | 413.459 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.09 | 9.12 | -46.32 | 1 | 9 | -1 | 124 | 412.451 | 8 | ↓ |