In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 15 | 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) | 0.07 | 2.02 | -8.05 | 0 | 4 | 0 | 46 | 205.261 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.07 | 4.22 | -45.46 | 1 | 4 | 1 | 47 | 206.269 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.