UCSF

ZINC03644104

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 16 Yes

Popular Name: [2-hydroxy-3-(3-methylphenoxy)propyl](propan-2-yl)amine hydrochloride [2-hydroxy-3-(3-methylphenoxy)pr…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2933-94-0 , 306-11-6

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) 2.23 -2.16 -40.44 3 3 1 46 224.324 6 ↓

Vendor Notes

Note Type Comments Provided By
MP 119 - 121 Enamine Building Blocks
MP 119...121 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0228192A2 IBM Patent Data

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