UCSF

ZINC06118734

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 15 Yes

Popular Name: Resorufin beta-D-glucopyranoside Resorufin beta-D-glucopyranoside

Find On: PubMed — Wikipedia — Google

CAS Numbers: [101490-85-1] , [125440-91-7] , [95079-19-9]

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) 2.64 0.4 -10.19 0 3 0 43 197.193 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0396642A1; EP0396642B1; US5068182; US5112739 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80068-3-O CCRF-SB (Lymphoblastic Leukemia Cells) (cluster #3 Of 5), Other Other 9000 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80068 Z80068 CCRF-SB (Lymphoblastic Leukemia Cells) 9000 0.47 Functional ≤ 10μM

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

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