In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 2008 | 31 | 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) | 1.91 | 0.92 | -23.51 | 1 | 9 | 0 | 113 | 487.625 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 3.55 | -57.96 | 2 | 9 | 1 | 114 | 488.633 | 8 | ↓ |