In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 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) | 0.03 | 1.39 | -41.01 | 2 | 5 | -1 | 85 | 236.034 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.03 | 0.94 | -85.99 | 1 | 5 | -2 | 83 | 235.026 | 3 | ↓ |