UCSF

ZINC05140444

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 22 Yes

Popular Name: N-(2-dimethylaminoethyl)acridine-3-carboxamide N-(2-dimethylaminoethyl)acridine…

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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) 2.36 7.55 -52.16 2 4 1 46 294.378 4 ↓
Lo Low (pH 4.5-6) 2.36 7.83 -81.29 3 4 2 48 295.386 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 8100 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 8100 0.32 Functional ≤ 10μM

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