UCSF

ZINC29753753

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2009 18 Yes

Popular Name: Methyl 5-amino-2-(4-methylpiperazin-1-yl)benzoate Methyl 5-amino-2-(4-methylpipera…

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CAS Numbers: 774126-94-2 , [774126-94-2]

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) 1.29 5.43 -38.23 3 5 1 60 250.322 3 ↓
Mid Mid (pH 6-8) 1.29 2.96 -8.67 2 5 0 59 249.314 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 89 - 91 KeyOrganics
MP 89-91° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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