UCSF

ZINC03926700

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 25 Yes

Popular Name: N-[(4-chlorophenyl)methyl]-5-hydroxy-8-(3-hydroxyprop-1-ynyl)-9-thia-2-azabicyclo[4.3.0]nona-2,4,7,1 N-[(4-chlorophenyl)methyl]-5-hyd…

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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) 2.31 6.47 -32.28 3 5 0 82 372.833 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPOL-4-V Human Herpesvirus 6 DNA Polymerase (cluster #4 Of 4), Viral Viruses 2700 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPOL_HCMVA P08546 Human Herpesvirus 5 DNA Polymerase, Hcmva 2700 0.31 Binding ≤ 10μM

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