| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 20 | Yes |
Popular Name: (1R,2S)-N-[(1R)-1-[(3S)-1-methyl-3-piperidyl]ethyl]-2-(trifluoromethyl)cyclohexanamine (1R,2S)-N-[(1R)-1-[(3S)-1-methyl…
| 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) | 3.93 | 9.37 | -94.69 | 3 | 2 | 2 | 21 | 294.405 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.93 | 8.7 | -33.85 | 2 | 2 | 1 | 16 | 293.397 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 7.09 | -32.42 | 2 | 2 | 1 | 20 | 293.397 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
