UCSF

ZINC05084779

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 34 No

Popular Name: (S-Triphenylmethyl)-L-cysteinyl-L-valine hydrochloride; (S-Trityl)-L-cysteinyl-L-valine hydrochloride; 2-(2-Amino(tritylthio)propionamido)-3-methylbutyric acid methyl ester hydrochloride; Butyric acid, 2-(2-amino-3-(tritylthio)propionamido)-3-methyl-, met (S-Triphenylmethyl)-L-cysteinyl-…

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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) 4.62 -0.47 -45.05 4 5 1 83 477.65 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81247-8-O HeLa (Cervical Adenocarcinoma Cells) (cluster #8 Of 9), Other Other 3500 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81247 Z81247 HeLa (Cervical Adenocarcinoma Cells) 3500 0.22 Functional ≤ 10μM

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