In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 15 | 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) | 1.68 | 4.03 | -35.73 | 2 | 3 | 1 | 29 | 213.345 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.68 | 5.54 | -115.34 | 3 | 3 | 2 | 30 | 214.353 | 2 | ↓ |