In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2009 | 25 | No |
Popular Name: 2-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-3-chloro-naphthalene-1,4-dione 2-(3-bromo-5-tert-butyl-4-hydrox…
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) | 6.15 | 9.71 | -7.34 | 1 | 3 | 0 | 54 | 419.702 | 2 | ↓ |
Hi High (pH 8-9.5) | 6.15 | 10.39 | -41.05 | 0 | 3 | -1 | 57 | 418.694 | 2 | ↓ |