In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 32 | No |
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) | 6.31 | 11.9 | -48.49 | 1 | 3 | -1 | 60 | 441.676 | 1 | ↓ |
Lo Low (pH 4.5-6) | 6.31 | 10.09 | -5.44 | 2 | 3 | 0 | 58 | 442.684 | 1 | ↓ |