UCSF

ZINC55601692

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2010 27 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) 4.11 7.23 -17.42 2 5 0 75 384.432 5
Mid Mid (pH 6-8) 4.11 7.27 -59.14 1 5 -1 77 383.424 5

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

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