In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2009 | 16 | 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) | 0.93 | 3.34 | -47.39 | 4 | 3 | 1 | 57 | 219.308 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.93 | 3.02 | -11.97 | 3 | 3 | 0 | 55 | 218.3 | 2 | ↓ |