In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 35 | 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) | 7.69 | 12.22 | -9.23 | 2 | 6 | 0 | 78 | 496.051 | 11 | ↓ |
Mid Mid (pH 6-8) | 7.69 | 12.99 | -47.07 | 1 | 6 | -1 | 81 | 495.043 | 11 | ↓ |