In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 15 | 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) | 2.33 | 6.4 | -14.75 | 2 | 3 | 0 | 42 | 223.345 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.33 | 6.8 | -45.36 | 3 | 3 | 1 | 43 | 224.353 | 5 | ↓ |