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) | 2.23 | 9.03 | -50.82 | 2 | 9 | 1 | 85 | 481.621 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 8.91 | -57.08 | 2 | 9 | 1 | 85 | 481.621 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 6.57 | -16.05 | 1 | 9 | 0 | 84 | 480.613 | 9 | ↓ |