UCSF

ZINC13412045

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 29 No

Popular Name: DNC013865 DNC013865

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Other Names:

Cudraxanthone M

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) 5.64 5.69 -12.21 3 6 0 100 396.439 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NANH-1-B Sialidase (cluster #1 Of 1), Bacterial Bacteria 98 0.34 Binding ≤ 10μM
Z102352-1-O Plasma (cluster #1 Of 3), Other Other 2200 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NANH_CLOPE P10481 Sialidase, Clope 186 0.32 Binding ≤ 1μM
NANH_CLOPE P10481 Sialidase, Clope 186 0.32 Binding ≤ 10μM
Z102352 Z102352 Plasma 2200 0.27 Functional ≤ 10μM

Rings

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

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