UCSF

ZINC36379922

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 12 Yes

Popular Name: 4-(1H-imidazol-2-yl)aniline 4-(1H-imidazol-2-yl)aniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1235440-77-3 , 1261269-05-9 , 13682-33-2 , 91099-82-0

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) 1.12 3.38 -28.47 4 3 1 56 160.2 1 ↓
Hi High (pH 8-9.5) 1.12 2.9 -8.45 3 3 0 55 159.192 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 150 - 151 Enamine Building Blocks
MP 150...151 Enamine Building Blocks
MP 292 - 294 Enamine Building Blocks
MP 292...294 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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