In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2010 | 14 | 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) | 0.39 | 2.99 | -87.75 | 4 | 3 | 2 | 35 | 201.358 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.39 | 0.87 | -41.22 | 3 | 3 | 1 | 34 | 200.35 | 5 | ↓ |