In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 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) | 0.93 | 6.51 | -62.55 | 2 | 4 | 1 | 59 | 249.334 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.93 | 5.11 | -12.32 | 1 | 4 | 0 | 54 | 248.326 | 8 | ↓ |