UCSF

ZINC00538461

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 30 Yes

Popular Name: Tilorone Tilorone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 26921-17-5 , 27591-69-1 , 27591-69-1, 27591-97-5 [tilorone] , 27591-97-5 , 27591-97-5, 27591-69-1[ti , [26921-17-5] , [27591-97-5]

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) 4.85 13.74 -82.89 2 5 2 44 412.574 12 ↓
Hi High (pH 8-9.5) 4.85 11.19 -44.95 1 5 1 43 411.566 12 ↓
Hi High (pH 8-9.5) 4.85 9.05 -12.76 0 5 0 42 410.558 12 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
Indications antiviral KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50651-2-O Vesicular Stomatitis Virus (cluster #2 Of 2), Other Other 1445 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50651 Z50651 Vesicular Stomatitis Virus 1318.25674 0.27 Functional ≤ 10μM

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