In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 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) | 0.73 | 4.37 | -62.58 | 0 | 9 | -1 | 104 | 452.487 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.73 | 6.64 | -75.49 | 1 | 9 | 0 | 105 | 453.495 | 8 | ↓ |