UCSF

ZINC43361404

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 19 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) 2.41 4.04 -13.71 2 5 0 57 282.413 4
Mid Mid (pH 6-8) 2.41 6.31 -45.44 3 5 1 58 283.421 4

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