UCSF

ZINC05112946

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 11 No

Popular Name: DNC003940 DNC003940

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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) 0.04 3.12 -105.05 0 4 -2 80 176.193 5 ↓
Hi High (pH 8-9.5) 0.04 3.67 -187.57 0 4 -3 80 175.185 5 ↓

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 6000 0.66 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FOLH1_HUMAN Q04609 Glutamate Carboxypeptidase II, Human 6000 0.66 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.