In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2008 | 27 | 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) | 4.40 | 8.74 | -11.55 | 2 | 6 | 0 | 83 | 427.357 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.40 | 7.68 | -45.62 | 1 | 6 | -1 | 85 | 426.349 | 5 | ↓ |