UCSF

ZINC12382009

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 16 Yes

Popular Name: 2-[(cyclohexylcarbonyl)amino]-3-methylbutanoic acid 2-[(cyclohexylcarbonyl)amino]-3-…

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CAS Number: 118528-57-7

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) 0.61 6.04 -54.3 1 4 -1 69 226.296 4 ↓
Mid Mid (pH 6-8) 0.79 4.63 -38.86 2 4 0 74 227.304 4 ↓

Vendor Notes

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

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