UCSF

ZINC00395540

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 14 Yes

Popular Name: 3-Amino-4-(methoxycarbonyl)benzoic acid 3-Amino-4-(methoxycarbonyl)benzo…

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CAS Numbers: 60728-41-8 , [60728-41-8]

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) 1.61 2.86 -46.55 2 5 -1 92 194.166 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 218 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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