In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2009 | 33 | 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) | 3.25 | 8.83 | -13.95 | 1 | 8 | 0 | 84 | 461.396 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.25 | 9.3 | -50.43 | 2 | 8 | 1 | 85 | 462.404 | 5 | ↓ |