In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 19 | Yes |
Popular Name: (4R,5R)-4-amino-5-(2,3-dihydrobenzofuran-5-yl)-1-isopropyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(2,3-dihydrobe…
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) | 0.94 | 4.9 | -57.56 | 3 | 4 | 1 | 57 | 261.345 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.94 | 4.6 | -8.62 | 2 | 4 | 0 | 56 | 260.337 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.