In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 20 | 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) | 2.54 | 5.45 | -9.61 | 2 | 4 | 0 | 54 | 269.348 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.54 | 5.91 | -43.21 | 3 | 4 | 1 | 55 | 270.356 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.