In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2008 | 19 | 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) | 2.09 | 5.38 | -44.37 | 2 | 3 | 1 | 29 | 261.389 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.09 | 7.73 | -115.3 | 3 | 3 | 2 | 30 | 262.397 | 5 | ↓ |