In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 16 | Yes |
Popular Name: 4-[(3,5-dimethylisoxazol-4-yl)methylamino]-4-oxo-butanoic 4-[(3,5-dimethylisoxazol-4-yl)me…
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) | -0.54 | 3.28 | -46.75 | 1 | 6 | -1 | 95 | 225.224 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.54 | 1.31 | -11.63 | 2 | 6 | 0 | 92 | 226.232 | 5 | ↓ |