UCSF

ZINC47976243

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 16 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) 1.31 5.44 -8.61 1 4 0 45 219.288 3
Mid Mid (pH 6-8) 1.31 5.89 -30.57 2 4 1 46 220.296 3

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