UCSF

ZINC00000178

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 14 Yes

Popular Name: 1-(2-Chlorophenyl)-2-(isopropylamino)ethanol hydrochloride 1-(2-Chlorophenyl)-2-(isopropyla…

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CAS Numbers: 3811-25-4 , 5588-22-7 , 6933-90-0 , [3811-25-4] , [6933-90-0]

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) 2.21 3.93 -35.15 3 2 1 37 214.716 4 ↓
Hi High (pH 8-9.5) 2.21 2.64 -3.68 2 2 0 32 213.708 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Target Adrenergic Receptor Selleck Chemicals
Target Others Selleck Chemicals

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Rings

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