In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 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) | -0.01 | 8.64 | -28.29 | 1 | 8 | 0 | 85 | 342.403 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.01 | 9.09 | -35.09 | 2 | 8 | 1 | 86 | 343.411 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.