UCSF

ZINC04600287

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 10 Yes

Popular Name: N-isopropyl-3-methyl-butanamide N-isopropyl-3-methyl-butanamide

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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) 1.74 3.48 -6.44 1 2 0 29 143.23 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5591762; US5594003; US5602127; US5614519 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )