UCSF

ZINC22142598

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 11 Yes

Popular Name: 2-(aminomethyl)-6-methoxyphenol hydrochloride 2-(aminomethyl)-6-methoxyphenol …

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CAS Numbers: 141803-91-0 , 86855-27-8 , [141803-91-0]

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) 0.67 -0.01 -53.13 4 3 1 57 154.189 2 ↓
Hi High (pH 8-9.5) 0.67 0.61 -41.46 3 3 0 60 153.181 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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

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