UCSF

ZINC01997842

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 13 Yes

Popular Name: Benzyl alcohol, alpha-(1-aminoethyl)-2-methoxy-, hydrochloride; LS-42656; alpha-(1-Aminoethyl)-2-methoxybenzyl alcohol hydrochloride Benzyl alcohol, alpha-(1-aminoet…

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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) 0.34 -3.58 -40.15 4 3 1 57 182.243 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0735142A2; US5717116 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.