UCSF

ZINC49067112

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 0.50 -0.45 -15.19 1 6 0 67 284.385 5
Mid Mid (pH 6-8) 0.50 1.79 -53.01 2 6 1 69 285.393 5

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

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