| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | Yes |
Popular Name: 2-[1-[(1S,3R)-3-methoxycyclohexyl]imidazol-2-yl]ethanamine 2-[1-[(1S,3R)-3-methoxycyclohexy…
| 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) | 0.22 | 3.94 | -52.59 | 3 | 4 | 1 | 55 | 224.328 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.22 | 3.55 | -7.33 | 2 | 4 | 0 | 53 | 223.32 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.22 | 4.4 | -108 | 4 | 4 | 2 | 56 | 225.336 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
