In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 32 | 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) | 5.35 | 12.38 | -41.83 | 4 | 5 | 1 | 69 | 450.99 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.35 | 10.55 | -11.32 | 3 | 5 | 0 | 68 | 449.982 | 6 | ↓ |