In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 16 | No |
Popular Name: (3R)-3-[(1S,5R)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]pyrrolidine-2,5-dione (3R)-3-[(1S,5R)-3-amino-8-azabic…
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) | -1.47 | -1.08 | -49.04 | 4 | 5 | 1 | 77 | 224.284 | 1 | ↓ |
Hi High (pH 8-9.5) | -1.28 | -1.46 | -35.28 | 3 | 5 | 0 | 83 | 223.276 | 1 | ↓ |
Hi High (pH 8-9.5) | -1.28 | -3.62 | -71.11 | 3 | 5 | 0 | 83 | 223.276 | 1 | ↓ |