In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 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) | 0.43 | 4.18 | -49.77 | 3 | 8 | 1 | 88 | 459.611 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.43 | 6.44 | -105.79 | 4 | 8 | 2 | 89 | 460.619 | 8 | ↓ |