In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 8th, 2008 | 33 | No |
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) | 0.94 | 3.16 | -66.19 | 2 | 9 | -1 | 125 | 470.527 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.94 | 5.5 | -79.27 | 3 | 9 | 0 | 126 | 471.535 | 9 | ↓ |