In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 20 | Yes |
Popular Name: N-(3-methoxypropyl)-5-oxo-1-phenyl-4H-1,2,4-triazole-3-carboxamide N-(3-methoxypropyl)-5-oxo-1-phen…
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) | -0.07 | 2.74 | -9.92 | 2 | 7 | 0 | 89 | 276.296 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.39 | 0.88 | -48.21 | 1 | 7 | -1 | 92 | 275.288 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.