UCSF

ZINC13819898

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 22 Yes

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) 1.85 6.57 -52.66 1 6 -1 90 313.418 9

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DEFM-1-E Peptide Deformylase Mitochondrial (cluster #1 Of 2), Eukaryotic Eukaryotes 200 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DEFM_HUMAN Q9HBH1 Peptide Deformylase Mitochondrial, Human 200 0.43 Binding ≤ 1μM
DEFM_HUMAN Q9HBH1 Peptide Deformylase Mitochondrial, Human 200 0.43 Binding ≤ 10μM

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