In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2009 | 18 | Yes |
Popular Name: 6-bromo-4-[(2R)-2-hydroxy-3-(methylamino)propyl]-1,4-benzoxazin-3-one 6-bromo-4-[(2R)-2-hydroxy-3-(met…
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) | 1.16 | 2.19 | -42.74 | 3 | 5 | 1 | 66 | 316.175 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.16 | 0.68 | -6.55 | 2 | 5 | 0 | 62 | 315.167 | 4 | ↓ |