In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2011 | 31 | 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) | 4.86 | 8.99 | -12.8 | 2 | 6 | 0 | 92 | 449.557 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.86 | 9.76 | -43.45 | 1 | 6 | -1 | 95 | 448.549 | 6 | ↓ |