| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 25 | Yes |
Popular Name: 4-[(S)-(3-bromophenyl)-cyano-methyl]-N-phenyl-piperazine-1-carboxamide 4-[(S)-(3-bromophenyl)-cyano-met…
| 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) | 3.73 | 8.69 | -11.29 | 1 | 5 | 0 | 59 | 399.292 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.73 | 10.61 | -54.42 | 2 | 5 | 1 | 61 | 400.3 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
