| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 20 | Yes |
Popular Name: (1R,2S,4S)-2,4-dimethyl-N-[(1S)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]cyclohexanamine (1R,2S,4S)-2,4-dimethyl-N-[(1S)-…
| 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) | 4.17 | 9.33 | -34.78 | 2 | 2 | 1 | 29 | 275.46 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.17 | 9.44 | -2.79 | 1 | 2 | 0 | 25 | 274.452 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.17 | 9.72 | -88.36 | 3 | 2 | 2 | 31 | 276.468 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
