UCSF

ZINC01492791

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 7 No

Popular Name: [(2R)-3-aminooxy-2-fluoro-propyl]ammonium [(2R)-3-aminooxy-2-fluoro-propyl…

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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) -1.23 -3.25 -40.44 5 3 1 62 109.124 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DCOR-1-E Ornithine Decarboxylase (cluster #1 Of 3), Eukaryotic Eukaryotes 14 1.57 Binding ≤ 10μM
Z80532-4-O T-24 (Bladder Carcinoma Cells) (cluster #4 Of 6), Other Other 2380 1.12 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DCOR_RAT P09057 Ornithine Decarboxylase, Rat 14 1.57 Binding ≤ 1μM
DCOR_RAT P09057 Ornithine Decarboxylase, Rat 14 1.57 Binding ≤ 10μM
Z80532 Z80532 T-24 (Bladder Carcinoma Cells) 2380 1.12 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.