UCSF

ZINC54910154

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 3.00 6.79 -41.65 2 4 1 41 310.487 3
Mid Mid (pH 6-8) 3.00 7.19 -92.76 3 4 2 42 311.495 3
Mid Mid (pH 6-8) 3.00 4.98 -24.79 2 4 1 41 310.487 3
Mid Mid (pH 6-8) 3.00 4.58 -5.73 1 4 0 40 309.479 3

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

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