UCSF

ZINC13605741

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 13 Yes

Popular Name: N-methyl-N'-(4-methylaminobutyl)butane-1,4-diamine N-methyl-N'-(4-methylaminobutyl)…

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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) 0.40 3.88 -161.16 6 3 3 50 190.355 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-7-O L1210 (Lymphocytic Leukemia Cells) (cluster #7 Of 12), Other Other 900 0.65 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 900 0.65 Functional ≤ 10μM

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