UCSF

ZINC32628209

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 13 Yes

Popular Name: (5-phenyl-1H-imidazol-2-yl)methanamine (5-phenyl-1H-imidazol-2-yl)metha…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 175531-38-1 , 945404-25-1 , 951342-91-9

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) 0.89 2.83 -49 4 3 1 56 174.227 2 ↓
Ref Reference (pH 7) 0.89 2.8 -47.89 4 3 1 56 174.227 2 ↓
Hi High (pH 8-9.5) 0.89 2.41 -6.23 3 3 0 55 173.219 2 ↓
Hi High (pH 8-9.5) 0.89 2.44 -8.13 3 3 0 55 173.219 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 142 - 144 Enamine Building Blocks
MP 142...144 Enamine Building Blocks
MP 153 - 155 Enamine Building Blocks
MP 247 - 249 Enamine Building Blocks
MP 247...249 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0767792A1; US5977101; WO1996000730A1 IBM Patent Data

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