In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 10 | 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) | -0.21 | -1.01 | -9.77 | 2 | 4 | 0 | 58 | 162.576 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.02 | -3.67 | -39.92 | 1 | 4 | -1 | 65 | 161.568 | 2 | ↓ |