In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 28 | Yes |
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) | 3.50 | 11.25 | -17.54 | 0 | 7 | 0 | 79 | 414.874 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.50 | 11.66 | -40.52 | 1 | 7 | 1 | 80 | 415.882 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.