UCSF

ZINC67225940

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 31 Yes

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) 2.36 11.57 -62.77 2 8 1 85 461.999 7
Mid Mid (pH 6-8) 2.36 9.36 -25.6 1 8 0 83 460.991 7

Activity (Go SEA)

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

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