In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 23rd, 2009 | 27 | No |
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) | 4.16 | 8.32 | -45.17 | 1 | 6 | -1 | 85 | 450.382 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.16 | 8.39 | -16.84 | 2 | 6 | 0 | 83 | 451.39 | 6 | ↓ |