In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 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) | 2.92 | 12.37 | -70.05 | 1 | 8 | 0 | 98 | 471.513 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.92 | 9.84 | -61.52 | 0 | 8 | -1 | 97 | 470.505 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.92 | 11.37 | -47 | 2 | 8 | 1 | 95 | 472.521 | 7 | ↓ |