In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 5th, 2010 | 38 | 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) | 8.35 | 15.97 | -146.95 | 7 | 4 | 3 | 70 | 517.826 | 10 | ↓ |
Hi High (pH 8-9.5) | 8.35 | 16.11 | -72.16 | 6 | 4 | 2 | 66 | 516.818 | 10 | ↓ |