UCSF

ZINC00262568

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: 6-(3-chloro-4-methyl-anilino)uracil 6-(3-chloro-4-methyl-anilino)uracil

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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) 2.49 3.57 -10.79 3 5 0 78 251.673 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TOP3-1-B DNA Topoisomerase III (cluster #1 Of 1), Bacterial Bacteria 630 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TOP3_BACSU P96583 DNA Topoisomerase III, Bacsu 630 0.51 Binding ≤ 1μM
TOP3_BACSU P96583 DNA Topoisomerase III, Bacsu 630 0.51 Binding ≤ 10μM

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

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