| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2011 | 19 | Yes |
Popular Name: (1R,2S,4R)-4-ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexanamine (1R,2S,4R)-4-ethyl-2-[[methyl-[(…
| 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) | 1.24 | 5.78 | -94.12 | 4 | 4 | 2 | 50 | 266.433 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 5.14 | -52.42 | 3 | 4 | 1 | 49 | 265.425 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
