In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 14 | 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) | 2.94 | 4.65 | -9.09 | 1 | 2 | 0 | 37 | 190.242 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 5.41 | -48.33 | 0 | 2 | -1 | 40 | 189.234 | 1 | ↓ |