In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | No |
None
None
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) | 4.76 | 10.18 | -11.51 | 0 | 6 | 0 | 55 | 456.542 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.76 | 13.79 | -113.11 | 2 | 6 | 0 | 58 | 458.558 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.76 | 10.92 | -52.26 | 1 | 6 | 0 | 56 | 457.55 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.76 | 13.05 | -48.79 | 1 | 6 | 1 | 56 | 457.55 | 6 | ↓ |