In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 34 | 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) | 3.19 | 11.79 | -44.4 | 2 | 9 | 1 | 90 | 473.642 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.19 | 9.42 | -13.84 | 1 | 9 | 0 | 89 | 472.634 | 10 | ↓ |