In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 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) | 3.56 | 8.66 | -40.28 | 2 | 2 | 1 | 29 | 249.422 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.56 | 9.08 | -101.87 | 3 | 2 | 2 | 31 | 250.43 | 9 | ↓ |