UCSF

ZINC67230628

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 22 No

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) -0.91 1.93 -54.9 4 8 1 106 313.378 4
Mid Mid (pH 6-8) -0.91 -0.13 -23.12 3 8 0 105 312.37 4

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

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