In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 17th, 2010 | 14 | 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) | 0.37 | 2.1 | -12.06 | 3 | 5 | 0 | 77 | 187.206 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.37 | 2.55 | -41.3 | 4 | 5 | 1 | 78 | 188.214 | 2 | ↓ |