In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 38 | 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) | 4.68 | 11.1 | -13.2 | 2 | 8 | 0 | 89 | 529.666 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.68 | 13.36 | -49.33 | 3 | 8 | 1 | 90 | 530.674 | 10 | ↓ |