In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 18th, 2008 | 33 | 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) | 3.18 | 14.32 | -45.5 | 2 | 7 | 1 | 68 | 466.631 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.90 | 14.16 | -60.68 | 1 | 7 | 0 | 65 | 465.623 | 8 | ↓ |