In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 22 | 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) | 0.53 | 1.45 | -44.35 | 4 | 6 | 1 | 85 | 310.37 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.53 | 1.14 | -5.72 | 3 | 6 | 0 | 83 | 309.362 | 5 | ↓ |