| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2009 | 28 | Yes |
Popular Name: [4-(2-phenylethynyl)phenyl]-[4-(2-thienylmethyl)piperazin-1-yl]methanone [4-(2-phenylethynyl)phenyl]-[4-(…
| 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) | 3.52 | 12.02 | -9.45 | 0 | 3 | 0 | 24 | 386.52 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 14.29 | -47.12 | 1 | 3 | 1 | 25 | 387.528 | 3 | ↓ |
