In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 18 | Yes |
None
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) | 2.25 | 0.26 | -12.65 | 5 | 5 | 0 | 96 | 244.25 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 1.27 | -57.31 | 4 | 5 | -1 | 98 | 243.242 | 2 | ↓ |