UCSF

ZINC35930493

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 21 Yes

Popular Name: DNC006720 DNC006720

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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) 4.21 6.36 -112.33 0 5 -2 88 388.626 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 7.50e-03 g/l DrugBank-experimental

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM2-1-E Methionine Aminopeptidase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 9100 0.34 Binding ≤ 10μM
Z80957-1-O HMEC (Microvascular Endothelial Cells) (cluster #1 Of 2), Other Other 3000 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM2_HUMAN P50579 Methionine Aminopeptidase 2, Human 9100 0.34 Binding ≤ 10μM
Z80957 Z80957 HMEC (Microvascular Endothelial Cells) 3000 0.37 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Inactivation, recovery and regulation of the phototransduction cascade

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

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