UCSF

ZINC22053470

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 32 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) 5.84 12.24 -51.54 2 8 1 95 449.568 13
Mid Mid (pH 6-8) 5.84 9.78 -14.52 1 8 0 94 448.56 13

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