| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2011 | 21 | Yes |
Popular Name: (2S,4R)-4-amino-1-[(3,5-dimethylisoxazol-4-yl)methyl]-N,N-diethyl-pyrrolidine-2-carboxamide (2S,4R)-4-amino-1-[(3,5-dimethyl…
| 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) | -0.32 | 2.97 | -62.98 | 3 | 6 | 1 | 77 | 295.407 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.32 | 2.69 | -10.69 | 2 | 6 | 0 | 76 | 294.399 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
