In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2010 | 19 | 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) | 0.69 | 5.07 | -48.34 | 3 | 5 | 1 | 75 | 259.333 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.69 | 3.44 | -11.54 | 2 | 5 | 0 | 73 | 258.325 | 3 | ↓ |