| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 22 | Yes |
Popular Name: 1-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-phthalazine 1-(4-methylpiperazin-1-yl)-4-pyr…
| 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) | 2.48 | 9.97 | -41.34 | 1 | 5 | 1 | 37 | 298.414 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.48 | 7.63 | -11.64 | 0 | 5 | 0 | 35 | 297.406 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.48 | 7.79 | -21.12 | 1 | 5 | 1 | 37 | 298.414 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.48 | 8.45 | -21.16 | 1 | 5 | 1 | 37 | 298.414 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 10.8 | -76.25 | 2 | 5 | 2 | 38 | 299.422 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 10.14 | -82.92 | 2 | 5 | 2 | 38 | 299.422 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
