In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 35 | Yes |
Popular Name: [4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]methylBLAHone [4-[4-(2-pyridyl)piperazine-1-ca…
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) | 3.45 | 12.87 | -44.69 | 1 | 8 | 1 | 77 | 465.537 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.45 | 12.59 | -18.34 | 0 | 8 | 0 | 76 | 464.529 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.