In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 22nd, 2010 | 35 | 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) | 1.61 | 5.32 | -55.15 | 4 | 8 | 1 | 101 | 498.604 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.61 | 3.09 | -14.85 | 3 | 8 | 0 | 100 | 497.596 | 7 | ↓ |