In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 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) | 1.29 | 6.52 | -92.8 | 5 | 4 | 2 | 59 | 250.39 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.29 | 6.58 | -32.16 | 4 | 4 | 1 | 58 | 249.382 | 7 | ↓ |