In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 11th, 2011 | 46 | No |
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) | 5.78 | 12.22 | -19.37 | 4 | 9 | 0 | 124 | 617.75 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.78 | 12.69 | -55.83 | 5 | 9 | 1 | 126 | 618.758 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.