| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2011 | 16 | Yes |
Popular Name: N1-[(1R)-1-(1-methylimidazol-2-yl)ethyl]cyclohexane-1,4-diamine N1-[(1R)-1-(1-methylimidazol-2-y…
| 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) | 0.01 | 3.72 | -83.92 | 5 | 4 | 2 | 59 | 224.352 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.01 | 3.15 | -41.84 | 4 | 4 | 1 | 57 | 223.344 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.01 | 3.8 | -102.26 | 5 | 4 | 2 | 62 | 224.352 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.01 | 4.43 | -186.83 | 6 | 4 | 3 | 63 | 225.36 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
