| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 15th, 2008 | 24 | No |
Popular Name: N-propyl-2-[4-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]acetamide N-propyl-2-[4-[(2-thioxo-1,3-ben…
| 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) | 1.98 | 6.25 | -46.01 | 2 | 6 | 1 | 55 | 349.48 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 3.94 | -18.94 | 1 | 6 | 0 | 54 | 348.472 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
