In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 18th, 2011 | 9 | 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) | 2.05 | 5.83 | -8.26 | 0 | 2 | 0 | 17 | 250.064 | 0 | ↓ |
Lo Low (pH 4.5-6) | 2.05 | 6.35 | -32.96 | 1 | 2 | 1 | 19 | 251.072 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.