In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 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) | 3.99 | 13.15 | -44.01 | 0 | 2 | -1 | 40 | 289.439 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.99 | 11.16 | -4.87 | 1 | 2 | 0 | 37 | 290.447 | 9 | ↓ |