UCSF

ZINC40939936

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 28 Yes

Popular Name: N3,N3,N7,N7-tetrapropylphenoxazin-5-ium-3,7-diamine N3,N3,N7,N7-tetrapropylphenoxazi…

Find On: PubMed — Wikipedia — Google

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) 3.83 14.35 -8.2 0 4 0 31 380.556 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 2 0.43 Functional ≤ 10μM
Z50459-8-O Leishmania Donovani (cluster #8 Of 8), Other Other 2 0.43 Functional ≤ 10μM
Z50466-2-O Trypanosoma Cruzi (cluster #2 Of 8), Other Other 17 0.39 Functional ≤ 10μM
Z50725-1-O Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other Other 23 0.38 Functional ≤ 10μM
Z81135-5-O L6 (Skeletal Muscle Myoblast Cells) (cluster #5 Of 6), Other Other 400 0.32 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50459 Z50459 Leishmania Donovani 2 0.43 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 2 0.43 Functional ≤ 10μM
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 23 0.38 Functional ≤ 10μM
Z50466 Z50466 Trypanosoma Cruzi 17 0.39 Functional ≤ 10μM
Z81135 Z81135 L6 (Skeletal Muscle Myoblast Cells) 400 0.32 ADME/T ≤ 10μM

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