UCSF

ZINC60017552

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 44 No

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) 8.28 15.06 -17.81 2 8 0 108 608.812 9
Hi High (pH 8-9.5) 8.28 14.98 -51.99 1 8 -1 110 607.804 9

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

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