In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 3rd, 2008 | 29 | 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) | 0.41 | 0 | -27.74 | 2 | 11 | 0 | 156 | 442.475 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.41 | -0.38 | -58.54 | 1 | 11 | -1 | 158 | 441.467 | 6 | ↓ |