UCSF

ZINC05138737

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 5 No

Popular Name: DNC012125 DNC012125

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10229-29-5 , 4145-98-6

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) -0.16 -2.59 -37.23 3 1 1 27 92.187 1 ↓
Hi High (pH 8-9.5) -0.16 -3.55 -35.63 3 1 0 27 91.179 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 74 - 76 Enamine Building Blocks
MP 74...76 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPN-1-E Aminopeptidase N (cluster #1 Of 5), Eukaryotic Eukaryotes 28 2.11 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPN_PIG P15145 Aminopeptidase N, Pig 28 2.11 Binding ≤ 1μM
AMPN_PIG P15145 Aminopeptidase N, Pig 28 2.11 Binding ≤ 10μM

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

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