UCSF

ZINC21143805

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 26 Yes

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) 0.73 3.99 -24.5 2 8 0 115 373.438 7
Lo Low (pH 4.5-6) 0.73 4.27 -51.86 3 8 1 116 374.446 7

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

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