UCSF

ZINC62941353

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 16 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) 1.14 4.28 -29.01 2 3 1 28 225.356 1
Mid Mid (pH 6-8) 1.14 5.82 -98.12 3 3 2 29 226.364 1
Mid Mid (pH 6-8) 1.14 3.92 -29.84 2 3 1 28 225.356 1

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

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