In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2009 | 36 | 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) | 2.01 | 9.51 | -49.46 | 0 | 9 | -1 | 109 | 483.504 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.01 | 8.36 | -23.36 | 1 | 9 | 0 | 106 | 484.512 | 7 | ↓ |