| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 26th, 2011 | 28 | Yes |
Popular Name: [4-[(4-isobutoxy-3-methoxy-phenyl)methyl]piperazin-1-yl]-(3-pyridyl)methanone [4-[(4-isobutoxy-3-methoxy-pheny…
| 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) | 1.73 | 7.47 | -14.13 | 0 | 6 | 0 | 55 | 383.492 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.73 | 9.59 | -53.01 | 1 | 6 | 1 | 56 | 384.5 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
