In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 31 | 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) | 4.02 | 7.95 | -11.22 | 1 | 7 | 0 | 89 | 488.334 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.02 | 8.87 | -51.33 | 0 | 7 | -1 | 92 | 487.326 | 6 | ↓ |