UCSF

ZINC14964411

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 20 Yes

Popular Name: DNC006719 DNC006719

Find On: PubMed — Wikipedia — Google

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) 3.17 5.82 -51.6 1 5 -1 86 290.32 4 ↓
Hi High (pH 8-9.5) 3.17 5.89 -128.71 0 5 -2 88 289.312 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 7.21e-02 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 1400 0.41 Binding ≤ 10μM
Z80164-1-O HT-1080 (Fibrosarcoma Cells) (cluster #1 Of 6), Other Other 7200 0.36 Functional ≤ 10μM
Z80957-1-O HMEC (Microvascular Endothelial Cells) (cluster #1 Of 2), Other Other 100 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM2_HUMAN P50579 Methionine Aminopeptidase 2, Human 1000 0.42 Binding ≤ 1μM
AMPM2_HUMAN P50579 Methionine Aminopeptidase 2, Human 1000 0.42 Binding ≤ 10μM
Z80957 Z80957 HMEC (Microvascular Endothelial Cells) 100 0.49 Functional ≤ 10μM
Z80164 Z80164 HT-1080 (Fibrosarcoma Cells) 7200 0.36 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.