UCSF

ZINC62568364

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 23 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) 1.82 4.94 -41.28 3 6 1 72 340.831 6
Hi High (pH 8-9.5) 2.01 4.22 -55.81 2 6 0 78 339.823 6

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

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