In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 11th, 2009 | 31 | 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) | 5.00 | 6.66 | -10.54 | 1 | 7 | 0 | 80 | 458.971 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.00 | 6.88 | -45.55 | 2 | 7 | 1 | 82 | 459.979 | 7 | ↓ |