In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 36 | 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) | 3.89 | 13.68 | -13.61 | 0 | 7 | 0 | 71 | 487.648 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.89 | 14.62 | -33.37 | 1 | 7 | 1 | 73 | 488.656 | 7 | ↓ |