UCSF

ZINC38124674

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 11 Yes

Popular Name: (2S)-2-AMINO-2-(3-CHLOROPHENYL)ETHAN-1-OL (2S)-2-AMINO-2-(3-CHLOROPHENYL)E…

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CAS Numbers: 1334146-19-8 , 179811-63-3 , 663611-73-2

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) -0.55 0.48 -40.74 4 2 1 48 172.635 2 ↓
Hi High (pH 8-9.5) -0.55 0.15 -3.7 3 2 0 46 171.627 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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