In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 37 | No |
Popular Name: (2,3-dihydroxyphenyl)-(4-methoxyphenyl)-dimethyl-BLAHdione (2,3-dihydroxyphenyl)-(4-methoxy…
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) | 3.57 | 7.44 | -20.62 | 3 | 9 | 0 | 111 | 496.523 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.57 | 7.91 | -41.08 | 2 | 9 | -1 | 113 | 495.515 | 3 | ↓ |