| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2011 | 12 | Yes |
Popular Name: (2S)-2-amino-2-(4-bromo-3-hydroxy-isoxazol-5-yl)acetic (2S)-2-amino-2-(4-bromo-3-hydrox…
| 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) | -2.42 | -1.44 | -37.32 | 3 | 6 | -1 | 112 | 236.001 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.96 | -3.08 | -97.38 | 2 | 6 | -2 | 115 | 234.993 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -2.42 | -1.12 | -38.82 | 4 | 6 | 0 | 114 | 237.009 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
