UCSF

ZINC55481686

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 20 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) 0.22 4.78 -41.76 2 7 1 80 284.336 6
Mid Mid (pH 6-8) 0.22 2.56 -12.46 1 7 0 79 283.328 6

Activity (Go SEA)

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

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