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) | 5.59 | 10.99 | -10.56 | 0 | 5 | 0 | 52 | 441.527 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.59 | 13.88 | -53.22 | 1 | 5 | 1 | 53 | 442.535 | 5 | ↓ |