In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2010 | 33 | 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) | 4.11 | 8.97 | -13.72 | 3 | 8 | 0 | 109 | 485.635 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.11 | 8.78 | -46.93 | 2 | 8 | -1 | 107 | 484.627 | 9 | ↓ |