| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 22 | Yes |
Popular Name: (2S,4R)-4-amino-1-[2-(1,3-benzodioxol-5-yl)acetyl]-N-methyl-pyrrolidine-2-carboxamide (2S,4R)-4-amino-1-[2-(1,3-benzod…
| 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) | -0.55 | 0.9 | -73.79 | 4 | 7 | 1 | 96 | 306.342 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.55 | 0.63 | -19.53 | 3 | 7 | 0 | 94 | 305.334 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
