UCSF

ZINC00161845

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 2-(1H-pyrazol-1-yl)aniline 2-(1H-pyrazol-1-yl)aniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 54705-91-8 , [54705-91-8]

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) 1.31 4.04 -6.03 2 3 0 44 159.192 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 48 - 50 Enamine Building Blocks
MP 48...50 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.