In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 32 | No |
Popular Name: 2-hydroxy-3-[6-(3-hydroxy-1,4-dioxo-2-naphthyl)hexyl]naphthalene-1,4-dione 2-hydroxy-3-[6-(3-hydroxy-1,4-di…
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) | 4.70 | 12.05 | -112.04 | 0 | 6 | -2 | 114 | 428.44 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.70 | 11.23 | -53.35 | 1 | 6 | -1 | 112 | 429.448 | 7 | ↓ |