In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 32 | Yes |
None
None
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) | 5.51 | 9.86 | -12.45 | 0 | 5 | 0 | 52 | 447.918 | 4 | ↓ |
Lo Low (pH 4.5-6) | 5.51 | 12.72 | -59.94 | 1 | 5 | 1 | 53 | 448.926 | 4 | ↓ |