| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 18 | Yes |
Popular Name: (1S,2R,4R)-2-[[cyclobutylmethyl(methyl)amino]methyl]-N-ethyl-4-methyl-cyclohexanamine (1S,2R,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) | 3.32 | 9.75 | -108.17 | 3 | 2 | 2 | 21 | 254.462 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.32 | 8.81 | -32.36 | 2 | 2 | 1 | 16 | 253.454 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.32 | 7.7 | -35.68 | 2 | 2 | 1 | 20 | 253.454 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
