UCSF

ZINC36872534

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 Yes

Popular Name: 1-(4-phenyl-1H-imidazol-2-yl)propan-1-amine 1-(4-phenyl-1H-imidazol-2-yl)pro…

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CAS Number: 1157056-08-0

Other Names:

MFCD12105107

MFCD13195923

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) 0.07 4.44 -51.81 4 3 1 56 202.281 3 ↓
Hi High (pH 8-9.5) 0.07 4.05 -5.78 3 3 0 55 201.273 3 ↓
Hi High (pH 8-9.5) 0.07 4.13 -7.88 3 3 0 55 201.273 3 ↓
Lo Low (pH 4.5-6) 0.07 4.77 -114.22 5 3 2 58 203.289 3 ↓
Lo Low (pH 4.5-6) 0.07 4.77 -115.14 5 3 2 58 203.289 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 59 - 61 Enamine Building Blocks
MP 59...61 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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