| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 20 | Yes |
Popular Name: (1S,2R,4R)-N-(5-isoquinolylmethyl)-2,4-dimethyl-cyclohexanamine (1S,2R,4R)-N-(5-isoquinolylmethy…
| 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) | 3.71 | 9.36 | -40.6 | 2 | 2 | 1 | 29 | 269.412 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.71 | 9.82 | -92.1 | 3 | 2 | 2 | 31 | 270.42 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
