In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 30 | 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) | 3.45 | 5.86 | -51.46 | 2 | 8 | 1 | 89 | 448.956 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.45 | 3.64 | -11.77 | 1 | 8 | 0 | 88 | 447.948 | 7 | ↓ |