UCSF

ZINC39323949

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 28 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) 0.53 4.87 -15.7 2 8 0 123 393.476 4
Mid Mid (pH 6-8) 0.53 7.22 -56.89 3 8 1 124 394.484 4

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