UCSF

ZINC01532511

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 21 Yes

Popular Name: N-Acetylaspartylglutamic acid N-Acetylaspartylglutamic acid

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CAS Number: 3106-85-2

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) -4.31 3.5 -181.99 2 10 -3 179 301.231 9 ↓
Lo Low (pH 4.5-6) -4.31 2.4 -115.42 3 10 -2 176 302.239 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FOLH1-1-E Glutamate Carboxypeptidase II (cluster #1 Of 2), Eukaryotic Eukaryotes 8500 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FOLH1_RAT P70627 Glutamate Carboxypeptidase II, Rat 8500 0.34 Binding ≤ 10μM

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