UCSF

ZINC28823096

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 26 No

Popular Name: H-Cys(Trt)-NH2 H-Cys(Trt)-NH2

Find On: PubMed — Wikipedia — Google

CAS Numbers: 166737-85-5 , [166737-85-5]

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) 3.84 7.33 -45.8 5 3 1 71 363.506 7 ↓
Mid Mid (pH 6-8) 3.84 7.02 -10.1 4 3 0 69 362.498 7 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KIF11-1-E Kinesin-like Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3100 0.30 Functional ≤ 10μM
Z81247-2-O HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other Other 1780 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81247 Z81247 HeLa (Cervical Adenocarcinoma Cells) 1780 0.31 Functional ≤ 10μM
KIF11_HUMAN P52732 Kinesin-like Protein 1, Human 3100 0.30 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Kinesins
MHC class II antigen presentation

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

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