UCSF

ZINC39251456

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 14 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) 1.36 0.78 -9.55 3 3 0 59 188.23 1
Mid Mid (pH 6-8) 1.36 1.16 -27.1 4 3 1 60 189.238 1

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