UCSF

ZINC03883872

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 16 Yes

Popular Name: 5-amino-1-(3,4-dichlorophenyl)-1H-pyrazole-4-carbonitrile 5-amino-1-(3,4-dichlorophenyl)-1…

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CAS Numbers: 58791-78-9 , [58791-78-9]

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) 2.45 1.34 -6.69 2 4 0 67 253.092 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 167 - 170 KeyOrganics
MP 197-170° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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