In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 36 | 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) | 5.17 | 10.82 | -19.09 | 2 | 8 | 0 | 102 | 500.58 | 8 | ↓ |
Hi High (pH 8-9.5) | 5.35 | 8.94 | -46.97 | 1 | 8 | -1 | 109 | 499.572 | 8 | ↓ |