UCSF

ZINC53603269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.11 4.4 -15.19 0 5 0 42 324.343 7
Mid Mid (pH 6-8) 1.11 6.61 -57.53 1 5 1 43 325.351 7

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

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