In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 32 | 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) | 4.38 | 13.15 | -11.25 | 0 | 6 | 0 | 60 | 448.954 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.38 | 13.91 | -33.12 | 1 | 6 | 1 | 62 | 449.962 | 7 | ↓ |