In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2009 | 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) | -0.95 | 5.75 | -42.86 | 4 | 12 | 0 | 190 | 471.422 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.95 | 4.99 | -46.8 | 3 | 12 | -1 | 185 | 470.414 | 6 | ↓ |