| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | No |
Popular Name: (3S)-1-[2-(4-nitro-1H-pyrrol-2-yl)-2-oxo-ethyl]piperidine-3-carboxamide (3S)-1-[2-(4-nitro-1H-pyrrol-2-y…
| 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) | 0.04 | 3.13 | -37.91 | 3 | 8 | 0 | 125 | 280.284 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.04 | 0.96 | -35.17 | 2 | 8 | -1 | 123 | 279.276 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.04 | 3.58 | -55.65 | 4 | 8 | 1 | 126 | 281.292 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
