| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 19 | No |
Popular Name: N-[(3-nitrophenyl)methyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(3-nitrophenyl)methyl]-5-oxo-…
| 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) | -0.33 | 1.43 | -14.25 | 3 | 9 | 0 | 136 | 263.213 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.13 | -1.13 | -50.73 | 2 | 9 | -1 | 140 | 262.205 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.13 | -0.04 | -29.72 | 3 | 9 | 0 | 141 | 263.213 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
