In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 13th, 2009 | 34 | 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) | 7.03 | 15.78 | -13.19 | 0 | 5 | 0 | 47 | 520.471 | 8 | ↓ |
Lo Low (pH 4.5-6) | 7.03 | 16.2 | -26.64 | 1 | 5 | 1 | 49 | 521.479 | 8 | ↓ |