In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 34 | 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) | 2.82 | 11.73 | -25.06 | 0 | 8 | 0 | 77 | 458.518 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 12.25 | -50.98 | 1 | 8 | 1 | 78 | 459.526 | 8 | ↓ |