UCSF

ZINC48940293

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 18 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) 2.08 6.21 -7.86 1 3 0 42 244.338 3
Mid Mid (pH 6-8) 2.08 6.59 -32.29 2 3 1 43 245.346 3

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

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