In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 33 | 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) | -2.06 | 4.34 | -72.23 | 5 | 13 | -1 | 205 | 454.423 | 10 | ↓ |
Hi High (pH 8-9.5) | -1.60 | 2.26 | -110.65 | 4 | 13 | -2 | 208 | 453.415 | 10 | ↓ |