In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 20 | 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) | 2.45 | 5.19 | -68.57 | 2 | 5 | -1 | 89 | 270.264 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.45 | 6.21 | -134.73 | 1 | 5 | -2 | 92 | 269.256 | 4 | ↓ |