In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 23 | Yes |
Popular Name: 2-[(2S,4aR,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-phenethyl-acetamide 2-[(2S,4aR,8aS)-3-oxo-2,4,4a,5,6…
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) | 2.84 | 4.61 | -41.63 | 4 | 5 | 1 | 75 | 316.425 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.84 | 3.49 | -11.1 | 3 | 5 | 0 | 70 | 315.417 | 5 | ↓ |