| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 20 | Yes |
Popular Name: (2S)-N-[(3-isobutylimidazol-4-yl)methyl]-6-oxo-piperazine-2-carboxamide (2S)-N-[(3-isobutylimidazol-4-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) | -0.87 | 1.12 | -47.84 | 4 | 7 | 1 | 89 | 280.352 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | 0.61 | -14.39 | 3 | 7 | 0 | 88 | 279.344 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.87 | 2.45 | -110.78 | 5 | 7 | 2 | 94 | 281.36 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
