UCSF

ZINC53885757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 14 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) -0.16 -0.06 -11.85 1 3 0 41 217.334 2
Mid Mid (pH 6-8) -0.16 1.96 -47.29 2 3 1 42 218.342 2

Activity (Go SEA)

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

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