UCSF

ZINC37855650

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 Yes

Popular Name: N-isobutyl-4-phenyl-butan-1-amine N-isobutyl-4-phenyl-butan-1-amine

Find On: PubMed — Wikipedia — Google

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) 3.46 9.03 -38.23 2 1 1 17 206.353 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0450066A1; EP0450066B1; US5227381; US5401740 IBM Patent Data

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