| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 18 | Yes |
Popular Name: (3S)-N-[(5-isobutylisoxazol-3-yl)methyl]-2,2-dimethyl-pyrrolidin-3-amine (3S)-N-[(5-isobutylisoxazol-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) | 2.47 | 4.79 | -39.11 | 3 | 4 | 1 | 55 | 252.382 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 5.22 | -40.18 | 3 | 4 | 1 | 55 | 252.382 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
