UCSF

ZINC49378717

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 20 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) 2.72 8.62 -47.28 2 4 1 37 339.257 3
Mid Mid (pH 6-8) 2.72 6.26 -6.57 1 4 0 36 338.249 3

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