In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 8 | 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) | -0.32 | -0.7 | -35.72 | 4 | 2 | 1 | 48 | 116.184 | 0 | ↓ |
Hi High (pH 8-9.5) | -0.32 | -1.01 | -2.82 | 3 | 2 | 0 | 46 | 115.176 | 0 | ↓ |