UCSF

ZINC64549409

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 33 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 5.64 12.82 -12.91 0 7 0 76 466.663 19
Lo Low (pH 4.5-6) 5.64 15.08 -41.37 1 7 1 77 467.671 19

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.