In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2009 | 11 | 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) | -0.62 | 0.3 | -94.84 | 5 | 3 | 2 | 47 | 159.277 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.62 | -1.06 | -37.01 | 4 | 3 | 1 | 43 | 158.269 | 3 | ↓ |