UCSF

ZINC03621803

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 11 Yes

Popular Name: 2-phenylbutan-1-amine hydrochloride 2-phenylbutan-1-amine hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 20569-45-3 , 33603-06-4 , 34577-88-3 , [20569-45-3]

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) 2.06 -1 -45.7 3 1 1 27 150.245 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 154 - 156 Enamine Building Blocks
MP 154...156 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP1038864A1 IBM Patent Data

Activity (Go SEA)

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