UCSF

ZINC39227830

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 6.56 14.74 -42.69 2 3 1 29 419.548 4
Mid Mid (pH 6-8) 6.56 12.67 -9.49 1 3 0 28 418.54 4

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