| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 24 | Yes |
Popular Name: 4-[4-[(2R)-2-hydroxybutyl]piperazine-1-carbonyl]-2H-phthalazin-1-one 4-[4-[(2R)-2-hydroxybutyl]pipera…
| 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) | 0.98 | 1.41 | -9.13 | 2 | 7 | 0 | 90 | 330.388 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | -0.37 | -45.15 | 1 | 7 | -1 | 93 | 329.38 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.98 | 3.67 | -46.59 | 3 | 7 | 1 | 91 | 331.396 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
