In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 17th, 2009 | 12 | 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) | 0.54 | 4.37 | -45.91 | 2 | 3 | 1 | 54 | 165.216 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.54 | 3.14 | -8.69 | 1 | 3 | 0 | 49 | 164.208 | 4 | ↓ |