UCSF

ZINC00864555

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 22 Yes

Popular Name: pyrabactin pyrabactin

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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) 3.15 5.54 -11.82 1 4 0 59 377.263 4 ↓
Lo Low (pH 4.5-6) 3.15 5.58 -35.77 1 4 0 62 377.263 4 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links PYL1_ARATH; PYL3_ARATH; PYR1_ARATH ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50324-1-O Arabidopsis Thaliana (cluster #1 Of 2), Other Other 2200 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50324 Z50324 Arabidopsis Thaliana 2200 0.36 Functional ≤ 10μM

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

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