In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 27 | 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) | 1.48 | 6.09 | -16.14 | 1 | 8 | 0 | 85 | 410.569 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.48 | 8.34 | -52.47 | 2 | 8 | 1 | 86 | 411.577 | 8 | ↓ |