| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | Yes |
Popular Name: (2S)-N-(3-fluoro-4-methoxy-phenyl)-2-piperazin-1-yl-propanamide (2S)-N-(3-fluoro-4-methoxy-pheny…
| 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) | 0.92 | 1.96 | -45.12 | 3 | 5 | 1 | 58 | 282.339 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 0.61 | -9.52 | 2 | 5 | 0 | 54 | 281.331 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.92 | 2.87 | -41.29 | 3 | 5 | 1 | 55 | 282.339 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.92 | 4.2 | -122.11 | 4 | 5 | 2 | 59 | 283.347 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
