| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 19 | Yes |
Popular Name: 4-(2-chloro-4-fluoro-phenyl)-3-[(1S)-1-methylbutyl]isoxazol-5-amine 4-(2-chloro-4-fluoro-phenyl)-3-[…
| 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) | 4.70 | 6.02 | -5.93 | 2 | 3 | 0 | 52 | 282.746 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.70 | 5.94 | -28.75 | 3 | 3 | 1 | 53 | 283.754 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
