UCSF

ZINC36876673

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 Yes

Popular Name: 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine 2-[5-(3-fluorophenyl)-1H-imidazo…

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CAS Numbers: 1153269-00-1 , 1803585-19-4

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) 2.49 6.5 -37.83 3 3 1 45 246.309 2 ↓
Ref Reference (pH 7) 2.49 6.52 -39.4 3 3 1 45 246.309 2 ↓
Hi High (pH 8-9.5) 2.49 5.43 -5.91 2 3 0 41 245.301 2 ↓
Hi High (pH 8-9.5) 2.49 5.46 -6.57 2 3 0 41 245.301 2 ↓
Lo Low (pH 4.5-6) 2.49 6.95 -112.82 4 3 2 47 247.317 2 ↓
Lo Low (pH 4.5-6) 2.49 6.99 -113.19 4 3 2 47 247.317 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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