In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 16 | 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) | 0.63 | 7.31 | -45.14 | 1 | 4 | 0 | 68 | 218.256 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.63 | 5.32 | -49.62 | 0 | 4 | -1 | 67 | 217.248 | 5 | ↓ |