UCSF

ZINC06053055

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2006 23 Yes

Popular Name: N-(4-chlorophenyl)-2-(1-naphthyloxy)propanamide N-(4-chlorophenyl)-2-(1-naphthyl…

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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) 5.00 0.76 -13.5 1 3 0 38 325.795 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8T6T2-1-E Inosine-5'-monophosphate Dehydrogenase, Probable (cluster #1 Of 1), Eukaryotic Eukaryotes 1640 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8T6T2_CRYPV Q8T6T2 Inosine-5'-monophosphate Dehydrogenase, Probable, Crypv 1060 0.36 Binding ≤ 10μM

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

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