In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 31 | 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) | 0.84 | 9.26 | -22.12 | 1 | 8 | 0 | 99 | 419.416 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.84 | 9.72 | -48.54 | 2 | 8 | 1 | 100 | 420.424 | 6 | ↓ |