In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 1st, 2009 | 25 | 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) | 0.77 | 1.24 | -18.23 | 4 | 11 | 0 | 157 | 342.319 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.77 | 2.04 | -65.6 | 3 | 11 | -1 | 160 | 341.311 | 4 | ↓ |