In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 24th, 2009 | 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) | 3.94 | 11.25 | -9.1 | 0 | 4 | 0 | 33 | 446.513 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.94 | 13.26 | -50.79 | 1 | 4 | 1 | 34 | 447.521 | 7 | ↓ |