| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 19 | Yes |
Popular Name: 3-[(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-piperidyl]propanoic 3-[(2S)-1-[(1-ethylimidazol-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) | 0.96 | 8.03 | -51.92 | 1 | 5 | 0 | 62 | 265.357 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 7.44 | -56.6 | 0 | 5 | -1 | 61 | 264.349 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | 9.06 | -54.87 | 1 | 5 | 0 | 62 | 265.357 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.96 | 9.84 | -95.52 | 2 | 5 | 1 | 64 | 266.365 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
