UCSF

ZINC28890512

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 33 Yes

Popular Name: N-cyclopentyl-3-[2-(cyclopentylamino)-1H-imidazol-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-a N-cyclopentyl-3-[2-(cyclopentyla…

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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) 5.88 15.18 -33.43 4 6 1 71 445.566 6 ↓
Hi High (pH 8-9.5) 5.88 14.73 -11.83 3 6 0 70 444.558 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 7900 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50602 Z50602 Human Herpesvirus 1 7900 0.22 Functional ≤ 10μM

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