UCSF

ZINC52880956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 18 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) 0.99 2.25 -7.72 2 4 0 50 247.342 2
Mid Mid (pH 6-8) 0.99 2.49 -45.74 3 4 1 51 248.35 2
Mid Mid (pH 6-8) 0.99 4.62 -42.39 3 4 1 51 248.35 2
Lo Low (pH 4.5-6) 0.99 4.87 -103.17 4 4 2 52 249.358 2

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

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