In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | 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) | 4.92 | 10.89 | -11.31 | 0 | 5 | 0 | 46 | 444.506 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.92 | 11.63 | -51.43 | 1 | 5 | 0 | 47 | 445.514 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.92 | 13.73 | -57.72 | 1 | 5 | 1 | 47 | 445.514 | 5 | ↓ |