In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 34 | 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) | 2.83 | 7.59 | -44.52 | 3 | 8 | 1 | 101 | 469.558 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.24 | 8.27 | -49.47 | 2 | 8 | 1 | 98 | 469.558 | 10 | ↓ |