In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 13 | 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) | 1.42 | 6.41 | -108.98 | 0 | 4 | -2 | 80 | 186.207 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.42 | 4.43 | -45.34 | 1 | 4 | -1 | 77 | 187.215 | 5 | ↓ |