| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 22 | Yes |
Popular Name: 3-[2-[1-[(1-ethylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethyl]-1,1-dimethyl-urea 3-[2-[1-[(1-ethylimidazol-2-yl)m…
| 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) | 0.98 | 5.78 | -14.67 | 1 | 6 | 0 | 53 | 305.426 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 6.23 | -35.39 | 2 | 6 | 1 | 55 | 306.434 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.98 | 8.42 | -110.89 | 3 | 6 | 2 | 56 | 307.442 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.98 | 8.07 | -45.49 | 2 | 6 | 1 | 55 | 306.434 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
