In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 24th, 2011 | 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) | 4.78 | 9.27 | -15.14 | 2 | 2 | 0 | 16 | 249.422 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.78 | 9.18 | -2.24 | 1 | 2 | 0 | 15 | 248.414 | 8 | ↓ |