UCSF

ZINC69674322

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 20 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) 3.64 6.78 -14.92 1 4 0 62 353.241 3
Mid Mid (pH 6-8) 3.46 6.3 -46.26 0 4 -1 61 352.233 4

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

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