UCSF

ZINC23915498

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2009 10 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) -0.07 2.77 -107.04 4 2 2 32 142.246 2
Mid Mid (pH 6-8) -0.07 0.42 -41.17 3 2 1 31 141.238 2
Mid Mid (pH 6-8) -0.07 2.38 -27.67 3 2 1 30 141.238 2

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

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