UCSF

ZINC34652212

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Substance Information

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

Popular Name: [(5-phenylthiophen-2-yl)methyl](propan-2-yl)amine [(5-phenylthiophen-2-yl)methyl](…

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CAS Number: 1095204-97-9

Other Names:

MFCD11629404

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) 3.99 8.66 -37.55 2 1 1 17 232.372 4 ↓
Hi High (pH 8-9.5) 3.99 7.44 -3.17 1 1 0 12 231.364 4 ↓

Vendor Notes

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

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