UCSF

ZINC12395626

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 14 Yes

Popular Name: 4-(4-methylpyrazol-1-yl)benzonitrile 4-(4-methylpyrazol-1-yl)benzonit…

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CAS Number: 873009-49-5

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) 1.79 6.76 -8.4 0 3 0 42 183.214 1 ↓

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