In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 16 | Yes |
Popular Name: (2S)-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic (2S)-2-[(3-butyl-1,2,4-oxadiazol…
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) | -0.67 | 3.52 | -39.27 | 2 | 6 | 0 | 96 | 227.264 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.67 | 2.35 | -47.37 | 1 | 6 | -1 | 91 | 226.256 | 7 | ↓ |