In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 2nd, 2011 | 27 | Yes |
None
None
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) | 1.67 | 5.18 | -51.97 | 1 | 8 | 1 | 90 | 399.468 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 2.72 | -13.99 | 0 | 8 | 0 | 89 | 398.46 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.