In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 9 | 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) | 0.92 | 2.6 | -27.17 | 2 | 2 | 1 | 16 | 129.227 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.92 | 0.36 | -1.83 | 1 | 2 | 0 | 15 | 128.219 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.92 | 1.5 | -34.37 | 2 | 2 | 1 | 20 | 129.227 | 1 | ↓ |