In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 22 | Yes |
Popular Name: 4-[(2R)-2,3-dihydroxypropyl]-7-piperazin-1-yl-1,4-benzoxazin-3-one 4-[(2R)-2,3-dihydroxypropyl]-7-p…
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) | -0.67 | -1.73 | -57.56 | 4 | 7 | 1 | 90 | 308.358 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.67 | -3.15 | -13.94 | 3 | 7 | 0 | 85 | 307.35 | 4 | ↓ |