| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 16 | Yes |
Popular Name: 2-[(2R)-2-(5-propylisoxazol-3-yl)pyrrolidin-1-yl]ethanamine 2-[(2R)-2-(5-propylisoxazol-3-yl…
| 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) | 1.15 | 2.79 | -45.14 | 3 | 4 | 1 | 57 | 224.328 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 4.61 | -32.48 | 3 | 4 | 1 | 56 | 224.328 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.15 | 4.99 | -112.05 | 4 | 4 | 2 | 58 | 225.336 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
