In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | Yes |
None
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) | 4.57 | 7.77 | -11.25 | 0 | 6 | 0 | 65 | 468.431 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.57 | 8.52 | -42.37 | 1 | 6 | 1 | 66 | 469.439 | 5 | ↓ |