In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 25 | 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) | -0.23 | 7.08 | -55.75 | 2 | 8 | 1 | 90 | 346.411 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.23 | 4.85 | -22.36 | 1 | 8 | 0 | 89 | 345.403 | 5 | ↓ |