In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 14th, 2008 | 27 | 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) | 3.24 | 4.05 | -47.27 | 1 | 7 | -1 | 104 | 450.652 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.24 | 4.83 | -103.2 | 0 | 7 | -2 | 107 | 449.644 | 3 | ↓ |