| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 17 | Yes |
Popular Name: (1R,5S)-3,3,5-trimethyl-1-(6-methyl-3-pyridyl)cyclohexanamine (1R,5S)-3,3,5-trimethyl-1-(6-met…
| 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) | 2.77 | 6.12 | -46.05 | 3 | 2 | 1 | 41 | 233.379 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 6.38 | -3.59 | 2 | 2 | 0 | 39 | 232.371 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 6.56 | -103.04 | 4 | 2 | 2 | 42 | 234.387 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
