In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 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) | 2.37 | 6.41 | -40.77 | 3 | 3 | 1 | 46 | 237.367 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.37 | 5.05 | -6.85 | 2 | 3 | 0 | 41 | 236.359 | 4 | ↓ |