| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 26 | Yes |
Popular Name: (2S)-2-(4-bromophenyl)-2-[4-[(S)-(4-bromophenyl)-cyano-methyl]piperazin-1-yl]acetonitrile (2S)-2-(4-bromophenyl)-2-[4-[(S)…
| 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) | 4.59 | 9.37 | -12.54 | 0 | 4 | 0 | 54 | 474.2 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.59 | 11.2 | -64.96 | 1 | 4 | 1 | 55 | 475.208 | 4 | ↓ |
