UCSF

ZINC65598075

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2011 27 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) 4.46 8.56 -43.19 4 6 1 75 381.585 9
Mid Mid (pH 6-8) 4.46 6.37 -11.87 3 6 0 73 380.577 9

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

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