In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2010 | 17 | 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) | 2.80 | 6.82 | -39.36 | 2 | 2 | 1 | 29 | 249.403 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.80 | 5.65 | -3.07 | 1 | 2 | 0 | 25 | 248.395 | 3 | ↓ |