In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 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) | 2.05 | 5.1 | -16.24 | 2 | 8 | 0 | 89 | 455.555 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.05 | 7.27 | -59.02 | 3 | 8 | 1 | 90 | 456.563 | 10 | ↓ |