In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2011 | 21 | No |
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) | 6.72 | 10.72 | -7.77 | 1 | 4 | 0 | 66 | 293.407 | 9 | ↓ |
Hi High (pH 8-9.5) | 6.72 | 11.71 | -44.37 | 0 | 4 | -1 | 69 | 292.399 | 9 | ↓ |