In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 18 | 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) | 1.99 | 2.63 | -52.06 | 5 | 5 | 1 | 82 | 249.338 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 2.25 | -17.01 | 4 | 5 | 0 | 80 | 248.33 | 4 | ↓ |