| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 21 | Yes |
Popular Name: [4-[(2S)-3-ethoxy-2-hydroxy-propyl]piperazin-1-yl]-(5-methylisoxazol-3-yl)methanone [4-[(2S)-3-ethoxy-2-hydroxy-prop…
| 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) | -0.07 | 0.77 | -10.45 | 1 | 7 | 0 | 79 | 297.355 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.07 | 2.96 | -44.64 | 2 | 7 | 1 | 80 | 298.363 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
