| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2011 | 16 | Yes |
Popular Name: (1S,2S)-2-[[(1S)-1-(1-methylimidazol-2-yl)ethyl]amino]cyclohexanol (1S,2S)-2-[[(1S)-1-(1-methylimid…
| 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) | 0.97 | 2.71 | -28.46 | 3 | 4 | 1 | 51 | 224.328 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 1.97 | -8.63 | 2 | 4 | 0 | 50 | 223.32 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 3.12 | -33.55 | 3 | 4 | 1 | 55 | 224.328 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 3.81 | -97.74 | 4 | 4 | 2 | 56 | 225.336 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
