In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 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) | 0.72 | 0.45 | -49.62 | 4 | 5 | 1 | 87 | 270.378 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.72 | 0.19 | -29.09 | 3 | 5 | 0 | 89 | 269.37 | 4 | ↓ |