UCSF

ZINC02465914

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 29 Yes

Popular Name: (5S)-5-tert-butyl-N-[1-(4-fluorobenzyl)pyrazol-4-yl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-5-tert-butyl-N-[1-(4-fluoro…

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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) 4.42 9.78 -12.9 1 6 0 73 396.466 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PANC-1-B Pantothenate Synthetase (cluster #1 Of 1), Bacterial Bacteria 150 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PANC_MYCTU P0A5R0 Pantothenate Synthetase, Myctu 150 0.33 Binding ≤ 1μM
PANC_MYCTU P0A5R0 Pantothenate Synthetase, Myctu 150 0.33 Binding ≤ 10μM

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

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