UCSF

ZINC04322438

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 21 No

Popular Name: N-{4-[amino(hydroxyimino)methyl]benzyl}-4-chlorobenzamide N-{4-[amino(hydroxyimino)methyl]…

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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) 1.52 4.04 -10.97 4 5 0 88 303.749 4 ↓
Lo Low (pH 4.5-6) 1.52 3.87 -39.99 5 5 1 89 304.757 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRTS-2-E Bifunctional Dihydrofolate Reductase-thymidylate Synthase (cluster #2 Of 3), Eukaryotic Eukaryotes 1500 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRTS_PLAFK P13922 Dihydrofolate Reductase, Plafk 1500 0.39 Binding ≤ 10μM

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

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