In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 9th, 2009 | 32 | 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) | 4.06 | 12.02 | -45.91 | 2 | 7 | 1 | 70 | 435.548 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.06 | 10.44 | -13.87 | 1 | 7 | 0 | 69 | 434.54 | 7 | ↓ |