UCSF

ZINC03678306

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 16 Yes

Popular Name: ethyl 3-amino-3-(2-bromo-4-methylphenyl)propanoate ethyl 3-amino-3-(2-bromo-4-methy…

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CAS Numbers: 502842-14-0 , 757938-08-2

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) 0.81 -0.55 -41.14 3 3 1 53 287.177 5 ↓

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