In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2011 | 34 | 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) | 6.14 | 11.07 | -13.35 | 2 | 6 | 0 | 92 | 491.638 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.14 | 11.84 | -42.42 | 1 | 6 | -1 | 95 | 490.63 | 7 | ↓ |