In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2009 | 34 | 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) | 5.32 | 8.8 | -22.02 | 2 | 8 | 0 | 110 | 502.662 | 9 | ↓ |
Hi High (pH 8-9.5) | 5.50 | 7.85 | -48.87 | 1 | 8 | -1 | 117 | 501.654 | 9 | ↓ |