In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 35 | Yes |
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) | 4.46 | 12.07 | -48.78 | 2 | 6 | 1 | 69 | 471.577 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.46 | 9.69 | -12.59 | 1 | 6 | 0 | 68 | 470.569 | 5 | ↓ |