In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2009 | 19 | Yes |
Popular Name: 6-[(R)-amino-(3-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-amino-(3-bromophenyl)meth…
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) | 2.90 | 4.38 | -63.19 | 4 | 4 | 1 | 74 | 320.166 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.36 | 1.42 | -48.08 | 2 | 4 | -1 | 75 | 318.15 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.36 | 1.75 | -82.04 | 3 | 4 | 0 | 77 | 319.158 | 2 | ↓ |