In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 16 | 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) | -0.45 | 3.89 | -62.39 | 3 | 4 | 1 | 72 | 218.28 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.45 | 3.5 | -13.18 | 2 | 4 | 0 | 70 | 217.272 | 4 | ↓ |