In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 31st, 2006 | 24 | 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) | 2.89 | 6.93 | -12.91 | 2 | 10 | 0 | 149 | 327.256 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.35 | 5.04 | -32.96 | 1 | 10 | -1 | 152 | 326.248 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.35 | 4.78 | -37.61 | 1 | 10 | -1 | 152 | 326.248 | 4 | ↓ |