UCSF

ZINC04692749

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2005 12 Yes

Popular Name: 3-methyl-4-phenyl-1H-pyrazole 3-methyl-4-phenyl-1H-pyrazole

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CAS Numbers: 13788-84-6 , [13788-84-6]

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) 2.26 5.09 -5.76 1 2 0 29 158.204 1 ↓
Ref Reference (pH 7) 2.26 5.06 -5.31 1 2 0 29 158.204 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 120 - 122 KeyOrganics
Melting_Point 140-144? Alfa-Aesar
Melting_Point 140-144° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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