In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 14th, 2010 | 10 | 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) | -0.54 | -3.27 | -39.85 | 5 | 3 | 1 | 68 | 148.226 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.54 | -3.66 | -5.78 | 4 | 3 | 0 | 66 | 147.218 | 6 | ↓ |