UCSF

ZINC20594000

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 8 Yes

Popular Name: 2-(1H-Imidazol-2-yl)ethanamine 2-(1H-Imidazol-2-yl)ethanamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 167298-65-9 , 17286-47-4 , 19225-96-8 , 88883-84-5

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) -0.98 -0.09 -49.75 4 3 1 56 112.156 2 ↓
Lo Low (pH 4.5-6) -0.98 0.36 -102.86 5 3 2 58 113.164 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 260 - 262 Enamine Building Blocks
MP 260...262 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
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.