UCSF

ZINC29039983

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 33 Yes

Popular Name: 5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-isopropyl-pyrazolo[1,5-a]pyridi 5-chloro-3-[2-(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) 6.29 14.45 -8.08 2 6 0 67 464.976 6 ↓

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 1500 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50602 Z50602 Human Herpesvirus 1 1500 0.25 Functional ≤ 10μM

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