In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2009 | 18 | 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) | 2.21 | 7.05 | -83.83 | 4 | 4 | 2 | 48 | 250.39 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 4.83 | -29.62 | 3 | 4 | 1 | 47 | 249.382 | 5 | ↓ |