UCSF

ZINC05082422

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 35 No

Popular Name: (S-Trityl)-L-cysteinyl-L-leucine, methyl ester, hydrochloride; L-Cysteinyl-L-leucine, (S-triphenylmethyl)-, methyl ester, hydrochloride; L-Leucine, N-(S-(triphenylmethyl)-L-cysteinyl)-, methyl ester, monohydrochloride; LS-87866; NSC 127737; Valeric acid, (S-Trityl)-L-cysteinyl-L-leucine…

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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) 5.15 -0.01 -48.09 4 5 1 83 491.677 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 5000 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81247 Z81247 HeLa (Cervical Adenocarcinoma Cells) 5000 0.21 Functional ≤ 10μM

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