UCSF

ZINC53432971

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 No

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) -0.60 1.41 -9.43 0 6 0 53 267.329 3
Lo Low (pH 4.5-6) -0.60 3.65 -50.28 1 6 1 54 268.337 3

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

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