In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 24th, 2011 | 35 | No |
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) | 0.36 | 4.14 | -68.18 | 4 | 12 | -1 | 187 | 516.537 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.36 | 5.07 | -113.88 | 3 | 12 | -2 | 190 | 515.529 | 8 | ↓ |