| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 24 | Yes |
Popular Name: (2R)-2-(3-bromophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile (2R)-2-(3-bromophenyl)-2-[4-(pyr…
| 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) | 1.71 | 6.86 | -14.17 | 0 | 5 | 0 | 60 | 385.265 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.71 | 8.86 | -52.44 | 1 | 5 | 1 | 61 | 386.273 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
