| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: 3-[(1S)-1,2-dimethylpropyl]-4-(2-thienyl)isoxazol-5-amine 3-[(1S)-1,2-dimethylpropyl]-4-(2…
| 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) | 3.40 | 4.32 | -5.87 | 2 | 3 | 0 | 52 | 236.34 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.40 | 4.25 | -25.97 | 3 | 3 | 1 | 53 | 237.348 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
