In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 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) | 2.13 | 9.34 | -44.13 | 2 | 7 | 1 | 67 | 449.982 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.13 | 6.92 | -10.64 | 1 | 7 | 0 | 66 | 448.974 | 5 | ↓ |