UCSF

ZINC22055353

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 11 No

Popular Name: Cysteine-S-sulfate Cysteine-S-sulfate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1637-71-4 , 7381-67-1

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) -4.90 -2.26 -54.39 3 6 -1 125 200.217 4 ↓
Hi High (pH 8-9.5) -4.90 -2.55 -91.9 2 6 -2 123 199.209 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.38e+01 g/l DrugBank-experimental
UniProt Database Links CYSK4_ARATH; CYSO_AERPE; GLRX2_MOUSE; SSU1_ARTBE; SSU1_ARTOC; SSU1_TRIRU ChEBI
UniProt Database Links CYSO_AERPE ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHAS-1-B Aspartate-semialdehyde Dehydrogenase (cluster #1 Of 1), Bacterial Bacteria 180 0.86 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DHAS_HELPY O25801 Aspartate-semialdehyde Dehydrogenase, Helpy 180 0.86 Binding ≤ 1μM
DHAS_HELPY O25801 Aspartate-semialdehyde Dehydrogenase, Helpy 180 0.86 Binding ≤ 10μM

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