UCSF

ZINC12336308

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 11 Yes

Popular Name: 2-amino-1-(4-bromophenyl)-1-ethanol 2-amino-1-(4-bromophenyl)-1-ethanol

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CAS Numbers: 41147-82-4 , 76008-53-2 , [41147-82-4] , [76008-53-2]

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) 0.74 0.83 -47.96 4 2 1 48 217.086 2 ↓
Hi High (pH 8-9.5) 2.92 6.09 -4.19 1 2 0 23 233.355 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 111 - 113 KeyOrganics
MP 111-113° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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