In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 16 | 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) | 1.87 | 6.39 | -45.21 | 2 | 3 | 1 | 34 | 222.356 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.87 | 6.48 | -79.22 | 3 | 3 | 2 | 36 | 223.364 | 3 | ↓ |