In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2009 | 50 | 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) | 3.13 | 9.81 | -48.86 | 9 | 10 | 1 | 166 | 675.854 | 18 | ↓ |
Mid Mid (pH 6-8) | 3.13 | 10.13 | -112.98 | 10 | 10 | 2 | 168 | 676.862 | 18 | ↓ |