| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 14th, 2010 | 19 | Yes |
Popular Name: 2-(3-ethynylanilino)-1-(4-methylpiperazin-1-yl)ethanone 2-(3-ethynylanilino)-1-(4-methyl…
| 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) | 0.78 | 6.71 | -49.31 | 2 | 4 | 1 | 37 | 258.345 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 4.37 | -10.46 | 1 | 4 | 0 | 36 | 257.337 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
