In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2010 | 24 | Yes |
Popular Name: (4-dimethylaminophenyl)-[4-(3-pyridylmethyl)piperazin-1-yl]methanone (4-dimethylaminophenyl)-[4-(3-py…
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) | 1.06 | 6.25 | -11.52 | 0 | 5 | 0 | 40 | 324.428 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.06 | 8.46 | -49.98 | 1 | 5 | 1 | 41 | 325.436 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.