In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 20 | Yes |
Popular Name: 2-[methyl-(5-oxo-1-phenyl-4H-1,2,4-triazole-3-carbonyl)amino]acetic 2-[methyl-(5-oxo-1-phenyl-4H-1,2…
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) | -1.75 | 5.56 | -48.02 | 1 | 8 | -1 | 111 | 275.244 | 4 | ↓ |
Mid Mid (pH 6-8) | -1.29 | 4.32 | -108.97 | 0 | 8 | -2 | 114 | 274.236 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.