UCSF

ZINC64269976

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 16th, 2011 13 Yes

Popular Name: 2-Amino-1-(2,4,5-trimethyl-phenyl)-ethanone; hydrochloride 2-Amino-1-(2,4,5-trimethyl-pheny…

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CAS Number: 1197227-40-9

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) 1.47 3.93 -6.4 2 2 0 43 177.247 2 ↓

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