| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 21 | Yes |
Popular Name: N-[3-(dimethylamino)propyl]-5-oxo-1-phenyl-4H-1,2,4-triazole-3-carboxamide N-[3-(dimethylamino)propyl]-5-ox…
| 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) | -0.02 | 4.98 | -47.45 | 3 | 7 | 1 | 84 | 290.347 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.43 | 3.12 | -66.97 | 2 | 7 | 0 | 87 | 289.339 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
