In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 8th, 2011 | 32 | 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) | 4.36 | 6.26 | -47.39 | 2 | 8 | -1 | 103 | 449.319 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.36 | 6.35 | -13.38 | 3 | 8 | 0 | 105 | 450.327 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.