UCSF

ZINC67725528

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 0.85 1.47 -15.73 3 5 0 75 274.299 3
Mid Mid (pH 6-8) 0.85 3.7 -39.57 4 5 1 76 275.307 3

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

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