In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 25 | No |
Popular Name: 5-hydroxy-2,2-dimethyl-7-(4-nitrobenzyl)oxy-chroman-4-one 5-hydroxy-2,2-dimethyl-7-(4-nitr…
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) | 3.91 | 7.99 | -13.05 | 1 | 7 | 0 | 102 | 343.335 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.91 | 8.98 | -51.66 | 0 | 7 | -1 | 104 | 342.327 | 4 | ↓ |