| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2009 | 19 | Yes |
Popular Name: (2S)-N-(5-bromo-2-fluoro-phenyl)-2-piperazin-1-yl-propanamide (2S)-N-(5-bromo-2-fluoro-phenyl)…
| 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) | 1.67 | 3.33 | -41.38 | 3 | 4 | 1 | 49 | 331.209 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.67 | 1.98 | -7.1 | 2 | 4 | 0 | 44 | 330.201 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.67 | 4.23 | -34.19 | 3 | 4 | 1 | 46 | 331.209 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.67 | 5.56 | -114.99 | 4 | 4 | 2 | 50 | 332.217 | 3 | ↓ |
