In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 17 | 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) | 0.82 | 1.98 | -13.42 | 3 | 4 | 0 | 68 | 227.267 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.82 | 2.36 | -42.03 | 4 | 4 | 1 | 69 | 228.275 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.