In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 11 | 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) | 0.60 | 3.03 | -20.85 | 0 | 2 | 0 | 34 | 168.217 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.02 | 1.74 | -53.46 | 0 | 2 | -1 | 40 | 167.209 | 2 | ↓ |