| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 20 | Yes |
Popular Name: 4-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]-4-oxo-butanoic 4-[4-[(3-methylisoxazol-5-yl)met…
| 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) | -0.31 | 4.17 | -49.51 | 0 | 7 | -1 | 90 | 280.304 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.31 | 6.38 | -74.85 | 1 | 7 | 0 | 91 | 281.312 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.31 | 4.4 | -53.18 | 2 | 7 | 1 | 88 | 282.32 | 5 | ↓ |
