UCSF

ZINC40933186

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 35 Yes

Popular Name: N-[(4-chlorophenyl)methyl]-7-cyclopropyl-2-[[[(2R)-2-(2-furyl)-2-hydroxy-ethyl]-methyl-amino]methyl] N-[(4-chlorophenyl)methyl]-7-cyc…

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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) 2.58 7.32 -14.92 2 8 0 101 495.963 9 ↓
Lo Low (pH 4.5-6) 2.58 9.67 -54.54 3 8 1 102 496.971 9 ↓

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 1200 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50530 Z50530 Human Herpesvirus 5 1200 0.24 Functional ≤ 10μM

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