UCSF

ZINC04521526

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 22 No

Popular Name: Ammonium (S)-5-(4-amino-4-carboxybutanamido)-2-nitrobenzoate Ammonium (S)-5-(4-amino-4-carbox…

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CAS Numbers: 63699-78-5 , [63699-78-5]

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) -1.71 -2.95 -118.82 4 10 -1 182 310.242 7 ↓

Activity (Go SEA)

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