In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 2010 | 22 | Yes |
Popular Name: 5-hydroxy-2,2-dimethyl-7-(4-pyridylmethoxy)chroman-4-one 5-hydroxy-2,2-dimethyl-7-(4-pyri…
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) | 2.67 | 5.51 | -10.32 | 1 | 5 | 0 | 69 | 299.326 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.67 | 6.5 | -52.65 | 0 | 5 | -1 | 71 | 298.318 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.67 | 5.96 | -41.53 | 2 | 5 | 1 | 70 | 300.334 | 3 | ↓ |