| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 18 | Yes |
Popular Name: 2-[(3R)-1-[(1-ethylimidazol-2-yl)methyl]-3-piperidyl]acetic 2-[(3R)-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) | 0.57 | 7.4 | -60.23 | 1 | 5 | 0 | 62 | 251.33 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 6.2 | -50.62 | 0 | 5 | -1 | 61 | 250.322 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 8.42 | -58.63 | 1 | 5 | 0 | 62 | 251.33 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.57 | 9.14 | -112.58 | 2 | 5 | 1 | 64 | 252.338 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
