In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | 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) | 1.34 | 4.45 | -82.56 | 4 | 5 | 0 | 97 | 250.298 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.34 | 4.11 | -50.47 | 3 | 5 | -1 | 95 | 249.29 | 5 | ↓ |