| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 20 | No |
Popular Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(2-hydroxy-5-nitro-phenyl)met…
| 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) | -0.39 | -1.41 | -13.95 | 4 | 10 | 0 | 157 | 279.212 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.06 | -2.12 | -37.74 | 3 | 10 | -1 | 164 | 278.204 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.07 | -3.97 | -51.39 | 3 | 10 | -1 | 160 | 278.204 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.07 | -3.21 | -89.39 | 2 | 10 | -2 | 163 | 277.196 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.39 | -0.65 | -31.15 | 3 | 10 | -1 | 160 | 278.204 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.07 | -2.88 | -28.68 | 4 | 10 | 0 | 161 | 279.212 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
