In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2009 | 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) | 3.44 | 9.29 | -62.16 | 0 | 8 | -1 | 85 | 506.623 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 11.62 | -79.96 | 1 | 8 | 0 | 87 | 507.631 | 10 | ↓ |