| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 21 | No |
Popular Name: 2-[1-[2-(4-nitro-1H-pyrrol-2-yl)-2-oxo-ethyl]-4-piperidyl]acetamide 2-[1-[2-(4-nitro-1H-pyrrol-2-yl)…
| 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) | 0.49 | 3.9 | -37.24 | 3 | 8 | 0 | 125 | 294.311 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 1.73 | -34.83 | 2 | 8 | -1 | 123 | 293.303 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.49 | 4.35 | -56.28 | 4 | 8 | 1 | 126 | 295.319 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
