UCSF

ZINC38481340

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 34 Yes

Popular Name: Furo[2,3-b]pyridine-5-carboxamide, N-[(4-chlorophenyl)methyl]-4,7-dihydro-2-[[[(2R)-2-hydroxy-2-pyrazinylethyl]methylamino]methyl]-7-methyl-4-oxo- (9CI) Furo[2,3-b]pyridine-5-carboxamid…

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CAS Number: 562101-59-1

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) 1.49 3.81 -17.11 2 9 0 113 481.94 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 5), Other Other 28 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50530 Z50530 Human Herpesvirus 5 28 0.31 Functional ≤ 10μM

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