UCSF

ZINC04528567

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 26 No

Popular Name: h-d-cys(trt)-oh h-d-cys(trt)-oh

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CAS Numbers: 25840-82-8 , 2799-07-7

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) 2.33 11.36 -33.51 3 3 0 68 363.482 7 ↓
Hi High (pH 8-9.5) 2.33 11 -46.24 2 3 -1 66 362.474 7 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 97% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KIF11-2-E Kinesin-like Protein 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 306 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KIF11_HUMAN P52732 Kinesin-like Protein 1, Human 1000 0.32 Binding ≤ 1μM
KIF11_HUMAN P52732 Kinesin-like Protein 1, Human 1000 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Kinesins
MHC class II antigen presentation

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