| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 20 | Yes |
Popular Name: (1S,2R,4R)-2,4-dimethyl-N-(quinoxalin-2-ylmethyl)cyclohexanamine (1S,2R,4R)-2,4-dimethyl-N-(quino…
| 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) | 3.68 | 7.49 | -40.42 | 2 | 3 | 1 | 42 | 270.4 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 6.66 | -5.84 | 1 | 3 | 0 | 38 | 269.392 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
