UCSF

ZINC00748062

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 39 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) 2.78 5.25 -19.84 2 10 0 100 533.629 9
Mid Mid (pH 6-8) 2.78 7.6 -58.57 3 10 1 101 534.637 9

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

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