In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 21 | 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) | 2.16 | 8.69 | -116.38 | 1 | 6 | -2 | 109 | 289.287 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.16 | 6.37 | -48.8 | 2 | 6 | -1 | 107 | 290.295 | 5 | ↓ |