UCSF

ZINC00663921

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 27 Yes

Popular Name: 4-(3-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide 4-(3-methylphenyl)-5-(4-pyridiny…

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Other Names:

MFCD03861963

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) 2.87 0.26 -12.8 0 6 0 63 379.489 5 ↓

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