In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 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) | 2.36 | 4.42 | -38.49 | 3 | 3 | 1 | 46 | 201.334 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 3.12 | -7.39 | 2 | 3 | 0 | 41 | 200.326 | 8 | ↓ |