| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 22 | Yes |
Popular Name: (1S)-1-(4-fluorophenyl)-2-[[1-(2-hydroxyethyl)-4-piperidyl]methyl-methyl-amino]ethanol (1S)-1-(4-fluorophenyl)-2-[[1-(2…
| 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) | 1.49 | 5.49 | -101.51 | 4 | 4 | 2 | 49 | 312.429 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 0.99 | -6.61 | 2 | 4 | 0 | 47 | 310.413 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 3.17 | -45.62 | 3 | 4 | 1 | 48 | 311.421 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 3.31 | -35.54 | 3 | 4 | 1 | 48 | 311.421 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
