In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 16 | 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) | 0.56 | 5.57 | -42.77 | 1 | 5 | 1 | 47 | 219.268 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.56 | 3.2 | -9.31 | 0 | 5 | 0 | 45 | 218.26 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.