| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 25 | Yes |
Popular Name: (2R)-2-(3-bromophenyl)-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetonitrile (2R)-2-(3-bromophenyl)-2-[4-(2-m…
| 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) | 3.35 | 9.41 | -10.15 | 0 | 4 | 0 | 47 | 398.304 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | 11.31 | -51.64 | 1 | 4 | 1 | 49 | 399.312 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
