UCSF

ZINC66436515

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 26 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) 2.96 10.09 -39.66 2 5 1 50 358.506 6
Hi High (pH 8-9.5) 2.96 7.73 -11.53 1 5 0 49 357.498 6

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

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