UCSF

ZINC29415706

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 24 Yes

Popular Name: N,N,N',N'-tetrakis(3-aminopropyl)butanediamide N,N,N',N'-tetrakis(3-aminopropyl…

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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) -4.13 -0.91 -247.47 12 8 4 151 348.536 15 ↓
Hi High (pH 8-9.5) -4.13 -1.29 -168.16 11 8 3 150 347.528 15 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80608-2-O ZR-75-1 (Breast Carcinoma Cells) (cluster #2 Of 4), Other Other 1700 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80608 Z80608 ZR-75-1 (Breast Carcinoma Cells) 1700 0.34 Functional ≤ 10μM

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