In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2010 | 29 | 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) | -2.76 | -0.61 | -63.25 | 8 | 11 | 0 | 203 | 405.411 | 8 | ↓ |
Hi High (pH 8-9.5) | -2.76 | -1.26 | -64.41 | 7 | 11 | -1 | 202 | 404.403 | 8 | ↓ |