In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2011 | 22 | Yes |
Popular Name: 6-bromo-3-[[(1-methyl-1-phenyl-ethyl)amino]methyl]-1,3-benzoxazol-2-one 6-bromo-3-[[(1-methyl-1-phenyl-e…
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) | 4.21 | 9.77 | -45.74 | 2 | 4 | 1 | 52 | 362.247 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.21 | 8.72 | -9.56 | 1 | 4 | 0 | 47 | 361.239 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.