UCSF

ZINC01553754

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 36 Yes

Popular Name: [4-[5-chloro-7-(cyclopentylamino)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-cyc [4-[5-chloro-7-(cyclopentylamino…

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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) 6.91 -2.08 -8.71 2 7 0 76 503.05 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50602-2-O Human Herpesvirus 1 (cluster #2 Of 5), Other Other 220 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50602 Z50602 Human Herpesvirus 1 220 0.26 Functional ≤ 10μM

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