UCSF

ZINC28476141

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 42 No

Popular Name: 5-[[4-[5-[[4-[5-(acetyl-hydroxy-amino)pentylamino]-4-oxo-butanoyl]-hydroxy-amino]pentylamino]-4-oxo- 5-[[4-[5-[[4-[5-(acetyl-hydroxy-…

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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) -4.06 5.63 -56.65 5 14 1 180 603.782 24 ↓
Hi High (pH 8-9.5) -4.06 6.59 -78.3 4 14 0 183 602.774 24 ↓

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 7000 0.17 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 6000 0.17 Functional ≤ 10μM

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