In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 20 | Yes |
Popular Name: (4R,5R)-4-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(2,3-dihydro-1…
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) | 0.63 | 4.43 | -56.1 | 3 | 5 | 1 | 66 | 277.344 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.63 | 4.14 | -9.38 | 2 | 5 | 0 | 65 | 276.336 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.