| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: 1-(4-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one 1-(4-bromophenyl)-3-[4-(2-hydrox…
| 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) | 1.83 | 2.18 | -8.44 | 1 | 4 | 0 | 44 | 341.249 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 4.53 | -39.21 | 2 | 4 | 1 | 45 | 342.257 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 4.43 | -45.43 | 2 | 4 | 1 | 45 | 342.257 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
