In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 25 | 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) | 0.96 | 3.74 | -14.86 | 4 | 8 | 0 | 106 | 345.403 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.96 | 4.24 | -32.68 | 5 | 8 | 1 | 107 | 346.411 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.