In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 32 | 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) | 2.98 | -0.04 | -20.29 | 2 | 10 | 0 | 133 | 478.552 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.98 | 0.05 | -44.47 | 1 | 10 | -1 | 135 | 477.544 | 10 | ↓ |