| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 24th, 2009 | 20 | Yes |
Popular Name: (2S)-2-(5-bromobenzofuran-2-yl)-2-piperazin-1-yl-propan-1-ol (2S)-2-(5-bromobenzofuran-2-yl)-…
| 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) | 2.38 | 3.94 | -26.42 | 2 | 4 | 0 | 53 | 339.233 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 1.31 | -7.14 | 2 | 4 | 0 | 49 | 339.233 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 2.55 | -43.78 | 3 | 4 | 1 | 53 | 340.241 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.38 | 4.74 | -115.86 | 4 | 4 | 2 | 54 | 341.249 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.38 | 3.4 | -31.94 | 3 | 4 | 1 | 50 | 340.241 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
