| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 20 | Yes |
Popular Name: (2S)-2-piperazin-1-yl-N-(2,4,5-trichlorophenyl)propanamide (2S)-2-piperazin-1-yl-N-(2,4,5-t…
| 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) | 2.66 | 4.22 | -45.63 | 3 | 4 | 1 | 49 | 337.658 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 4.98 | -36.79 | 3 | 4 | 1 | 46 | 337.658 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.66 | 6.37 | -120.67 | 4 | 4 | 2 | 50 | 338.666 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
