UCSF

ZINC55161754

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 3.64 2.72 -9.65 4 3 0 66 303.361 1
Mid Mid (pH 6-8) 3.64 3.49 -41.15 5 3 1 68 304.369 1

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

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