UCSF

ZINC00538596

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 Yes

Popular Name: (2R,3S,4R,5S)-2-[5,6-dichloro-2-(isopropylamino)benzimidazol-1-yl]-5-methylol-tetrahydrofuran-3,4-di (2R,3S,4R,5S)-2-[5,6-dichloro-2-…

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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) 2.45 1.06 -13.03 4 7 0 100 376.24 4 ↓
Mid Mid (pH 6-8) 2.45 1.4 -34.23 5 7 1 101 377.248 4 ↓

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 100 0.41 Functional ≤ 10μM
Z80954-1-O HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other Other 450 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80954 Z80954 HFF (Foreskin Fibroblasts) 330 0.38 Functional ≤ 10μM
Z50530 Z50530 Human Herpesvirus 5 100 0.41 Functional ≤ 10μM

Rings

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