In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 28 | No |
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) | -2.45 | -5.24 | -67.66 | 5 | 12 | -1 | 190 | 399.38 | 7 | ↓ |
Lo Low (pH 4.5-6) | -2.45 | -7.37 | -25.9 | 6 | 12 | 0 | 187 | 400.388 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.