| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 26th, 2011 | 18 | No |
Popular Name: 3-(4-nitroimidazol-1-yl)-N-(4H-1,2,4-triazol-3-yl)propanamide 3-(4-nitroimidazol-1-yl)-N-(4H-1…
| 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) | -0.89 | 6.87 | -42.36 | 1 | 10 | -1 | 141 | 250.198 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.07 | 8.15 | -24.6 | 2 | 10 | 0 | 134 | 251.206 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -1.07 | 8.61 | -56.14 | 3 | 10 | 1 | 136 | 252.214 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
