In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 35 | 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) | 5.52 | 13.74 | -11.99 | 0 | 6 | 0 | 73 | 488.971 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.52 | 14.21 | -40.74 | 1 | 6 | 1 | 74 | 489.979 | 7 | ↓ |