In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 13 | 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) | 0.77 | 3.79 | -49.82 | 3 | 3 | 1 | 45 | 182.291 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.77 | 3.91 | -94.36 | 4 | 3 | 2 | 47 | 183.299 | 4 | ↓ |