UCSF

ZINC00207826

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: BRD-K59777125-001-01-6 BRD-K59777125-001-01-6

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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) 4.44 9.73 -10.78 0 2 0 30 248.281 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50622-1-O Human Rhinovirus 1B (cluster #1 Of 2), Other Other 6190 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50622 Z50622 Human Rhinovirus 1B 6190 0.38 Functional ≤ 10μM

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