In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 36 | 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) | 5.32 | 7.96 | -12.11 | 2 | 8 | 0 | 112 | 498.572 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.32 | 9.77 | -50.27 | 1 | 8 | -1 | 114 | 497.564 | 8 | ↓ |