| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 21 | Yes |
Popular Name: (2S)-N-[4-(difluoromethoxy)phenyl]-2-piperazin-1-yl-propanamide (2S)-N-[4-(difluoromethoxy)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) | 1.39 | 2.17 | -44.73 | 3 | 5 | 1 | 58 | 300.329 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.39 | 0.82 | -10.43 | 2 | 5 | 0 | 54 | 299.321 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.39 | 3.07 | -38.94 | 3 | 5 | 1 | 55 | 300.329 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.39 | 4.4 | -119.42 | 4 | 5 | 2 | 59 | 301.337 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
