UCSF

ZINC34652666

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 17 Yes

Popular Name: {[5-(4-fluorophenyl)thiophen-2-yl]methyl}(propan-2-yl)amine {[5-(4-fluorophenyl)thiophen-2-y…

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CAS Number: 1095140-49-0

Other Names:

MFCD11629473

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) 4.15 8.72 -39.04 2 1 1 17 250.362 4 ↓
Hi High (pH 8-9.5) 4.15 7.5 -2.87 1 1 0 12 249.354 4 ↓

Vendor Notes

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

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