UCSF

ZINC22746577

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 28 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) 3.55 6.98 -21.94 2 7 0 101 416.528 7
Hi High (pH 8-9.5) 3.62 6.08 -48.36 1 7 -1 107 415.52 7
Hi High (pH 8-9.5) 3.62 6.15 -94.36 0 7 -2 109 414.512 7
Mid Mid (pH 6-8) 3.55 7.06 -51.04 1 7 -1 103 415.52 7

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

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