UCSF

ZINC69519441

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.32 8.73 -36.36 1 5 1 48 320.42 4
Mid Mid (pH 6-8) 1.32 8.16 -12.86 0 5 0 47 319.412 4
Mid Mid (pH 6-8) 1.32 10.4 -51.4 1 5 1 48 320.42 4

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

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