In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2004 | 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) | 6.89 | 14.45 | -8.97 | 1 | 4 | 0 | 47 | 488.056 | 4 | ↓ |
Lo Low (pH 4.5-6) | 7.06 | 14.62 | -28.46 | 2 | 4 | 1 | 52 | 489.064 | 4 | ↓ |