In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2008 | 37 | 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) | 1.96 | 10.35 | -44.85 | 2 | 10 | 1 | 113 | 499.551 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.96 | 8.2 | -13.47 | 1 | 10 | 0 | 111 | 498.543 | 8 | ↓ |