UCSF

ZINC22340393

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 14 Yes

Popular Name: 5-Amino-3-(4-bromophenyl)-1-methylpyrazole 5-Amino-3-(4-bromophenyl)-1-meth…

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CAS Numbers: 126417-84-3 , [126417-84-3]

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) 2.48 5.26 -9.17 2 3 0 44 252.115 1 ↓
Mid Mid (pH 6-8) 2.48 5.37 -31.74 3 3 1 45 253.123 1 ↓

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