In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 3rd, 2008 | 31 | 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) | 2.37 | 5.77 | -55.36 | 2 | 8 | 1 | 105 | 466.605 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.37 | 3.73 | -21.32 | 1 | 8 | 0 | 104 | 465.597 | 7 | ↓ |