In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2008 | 35 | 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) | 3.60 | 6.94 | -14.19 | 0 | 9 | 0 | 84 | 483.613 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.60 | 9.15 | -55.92 | 1 | 9 | 1 | 85 | 484.621 | 6 | ↓ |