UCSF

ZINC08078162

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 28 Yes

Popular Name: 2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline 2,9-Dimethyl-4,7-diphenyl-1,10-p…

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CAS Numbers: 4733-39-5 , 52698-84-7 , [4733-39-5]

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) 6.83 0.94 -11.71 0 2 0 25 360.46 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 277 - 285 Acros Organics
Melting_Point 279-285? Alfa-Aesar
Melting_Point 279-285° Alfa-Aesar
MP 283 TCI
Mp [°C] 300 Acros Organics
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81138-1-O ScN2a (Scrapie-infected Neuroblastoma Cells) (cluster #1 Of 3), Other Other 80 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81138 Z81138 ScN2a (Scrapie-infected Neuroblastoma Cells) 80 0.35 Functional ≤ 10μM

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