In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 16 | Yes |
None
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) | 2.72 | 7.56 | -79.31 | 5 | 3 | 2 | 58 | 225.38 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.72 | 7.07 | -45.63 | 4 | 3 | 1 | 56 | 224.372 | 10 | ↓ |