In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 30 | 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) | 5.88 | 10.1 | -9.46 | 2 | 5 | 0 | 69 | 427.907 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.88 | 10.87 | -45.28 | 1 | 5 | -1 | 72 | 426.899 | 6 | ↓ |