In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 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) | 0.27 | 4.13 | -44.37 | 2 | 4 | 1 | 50 | 194.258 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.27 | 2.75 | -12.07 | 1 | 4 | 0 | 45 | 193.25 | 4 | ↓ |