UCSF

ZINC32628162

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 16 Yes

Popular Name: 4-Phenyl-2-(2-pyrrolidinyl)-1H-imidazole dihydrochloride 4-Phenyl-2-(2-pyrrolidinyl)-1H-i…

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CAS Numbers: 1118787-83-9 , 1258640-27-5 , [944030-47-1]

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) 1.85 5.79 -38.14 3 3 1 45 214.292 2 ↓
Ref Reference (pH 7) 1.85 5.76 -37.18 3 3 1 45 214.292 2 ↓
Hi High (pH 8-9.5) 1.85 4.59 -7.41 2 3 0 41 213.284 2 ↓
Hi High (pH 8-9.5) 1.85 4.54 -5.85 2 3 0 41 213.284 2 ↓
Lo Low (pH 4.5-6) 1.85 6.17 -107.02 4 3 2 47 215.3 2 ↓
Lo Low (pH 4.5-6) 1.85 6.16 -106.9 4 3 2 47 215.3 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 231 - 233 Enamine Building Blocks
MP 231...233 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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