| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 21 | Yes |
Popular Name: (4S,5S)-4-amino-5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-propyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(5-bromo-2,3-d…
| 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) | 1.56 | 5.04 | -54.44 | 3 | 5 | 1 | 66 | 356.24 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 4.78 | -11.45 | 2 | 5 | 0 | 65 | 355.232 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
