| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 16 | Yes |
Popular Name: (1S,2S,4R)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-methyl-cyclohexanamine (1S,2S,4R)-2-[[cyclobutylmethyl(…
| 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) | 2.04 | 7.45 | -112.24 | 4 | 2 | 2 | 32 | 226.408 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 5.39 | -41.07 | 3 | 2 | 1 | 31 | 225.4 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
