In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2011 | 24 | Yes |
Popular Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone 1-[4-(2,3-dimethylphenyl)piperaz…
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) | 1.98 | 8.72 | -38.17 | 1 | 5 | 1 | 31 | 331.484 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.98 | 6.34 | -8.06 | 0 | 5 | 0 | 30 | 330.476 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.