| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 21 | Yes |
Popular Name: (2S)-1-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]-3-(2-fluorophenoxy)propan-2-ol (2S)-1-[[(1R,2R,4S)-2,4-dimethyl…
| 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) | 3.40 | 6.12 | -45.78 | 3 | 3 | 1 | 46 | 296.406 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.40 | 5.16 | -7.73 | 2 | 3 | 0 | 41 | 295.398 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
