UCSF

ZINC66437282

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 26 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) 2.98 7.12 -10.38 2 4 0 56 356.441 5
Mid Mid (pH 6-8) 2.98 8.9 -46.02 3 4 1 57 357.449 5

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

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