In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 28 | 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) | 5.54 | 9.68 | -9.48 | 0 | 4 | 0 | 43 | 418.32 | 3 | ↓ |
Lo Low (pH 4.5-6) | 5.54 | 12.54 | -52.96 | 1 | 4 | 1 | 44 | 419.328 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.