In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 2008 | 30 | 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) | 2.02 | 4.65 | -58.05 | 2 | 8 | 1 | 105 | 452.578 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.02 | 2.22 | -20.63 | 1 | 8 | 0 | 104 | 451.57 | 7 | ↓ |