| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2010 | 16 | Yes |
Popular Name: (2S)-2-amino-3-[3-oxo-5-(trifluoromethyl)isoxazol-4-yl]propanoic (2S)-2-amino-3-[3-oxo-5-(trifluo…
| 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) | -2.24 | -0.14 | -46.81 | 3 | 6 | -1 | 112 | 239.129 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.78 | -2.35 | -34.5 | 4 | 6 | 0 | 114 | 240.137 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.78 | -1.92 | -93.07 | 2 | 6 | -2 | 115 | 238.121 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -2.24 | 0.18 | -36.14 | 4 | 6 | 0 | 114 | 240.137 | 4 | ↓ |
