UCSF

ZINC57952310

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 18 Yes

Popular Name: 5-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(3,5-dimethylisoxazol-4-yl)me…

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Download: MOL2 SDF SMILES Flexibase

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) 1.37 7.61 -13.05 2 6 0 83 267.358 4 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.