UCSF

ZINC03112462

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 31 No

Popular Name: N-[(E)-9-anthrylmethyleneamino]-N'-(3-bromophenyl)succinamide N-[(E)-9-anthrylmethyleneamino]-…

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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) 5.81 11.86 -17.12 2 5 0 71 474.358 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q81LQ4-1-B Nicotinate-nucleotide Adenylyltransferase (cluster #1 Of 1), Bacterial Bacteria 4000 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q81LQ4_BACAN Q81LQ4 Nicotinate-nucleotide Adenylyltransferase, Bacan 4000 0.24 Binding ≤ 10μM

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

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