UCSF

ZINC41079738

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 17 Yes

Popular Name: Ethyl 3-amino-4-(diethylamino)benzoate Ethyl 3-amino-4-(diethylamino)be…

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CAS Numbers: 1220027-69-9 , N/A , [1220027-69-9]

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) 2.75 7.2 -4.88 2 4 0 56 236.315 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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