| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 20 | Yes |
Popular Name: 4-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-4-oxo-butanoic 4-[3-(4-methyl-1,2,4-triazol-3-y…
| 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) | 0.52 | 7.43 | -49.5 | 1 | 7 | -1 | 100 | 273.272 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.52 | 5.46 | -16.71 | 2 | 7 | 0 | 97 | 274.28 | 5 | ↓ |
