In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2007 | 37 | 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) | 3.33 | 9.63 | -55.96 | 0 | 10 | -1 | 123 | 507.519 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.75 | 2.85 | -26.87 | 0 | 10 | 0 | 117 | 508.527 | 9 | ↓ |