| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 21 | Yes |
Popular Name: (1S,2R,4S)-N-[(4-imidazol-1-ylphenyl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2R,4S)-N-[(4-imidazol-1-ylph…
| 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) | 2.98 | 11.11 | -48.75 | 2 | 3 | 1 | 34 | 284.427 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.98 | 10.07 | -5.58 | 1 | 3 | 0 | 30 | 283.419 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.98 | 11.62 | -88.12 | 3 | 3 | 2 | 36 | 285.435 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
