UCSF

ZINC26144729

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 40 Yes

Popular Name: N-[3-[4-[3-(pyrrolo[2,1-c]quinoxalin-4-ylamino)propyl]piperazin-1-yl]propyl]pyrrolo[2,1-c]quinoxalin N-[3-[4-[3-(pyrrolo[2,1-c]quinox…

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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) 5.38 15.21 -57.06 3 8 1 66 533.704 10 ↓
Hi High (pH 8-9.5) 5.38 12.89 -19.31 2 8 0 65 532.696 10 ↓
Lo Low (pH 4.5-6) 5.38 15.84 -153.22 5 8 3 69 535.72 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 80 0.25 Functional ≤ 10μM
Z81135-3-O L6 (Skeletal Muscle Myoblast Cells) (cluster #3 Of 4), Other Other 5040 0.19 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81135 Z81135 L6 (Skeletal Muscle Myoblast Cells) 5040 0.19 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 290 0.23 Functional ≤ 10μM

Rings

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

No pre-computed analogs available. Try a structural similarity search.