In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 19th, 2008 | 30 | 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) | 2.96 | 6.92 | -63.9 | 2 | 10 | -1 | 146 | 444.474 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.42 | 4.46 | -128.87 | 1 | 10 | -2 | 149 | 443.466 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.