UCSF

ZINC03925938

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 21 No

Popular Name: 19683-98-8; C09674; Graphinone; Ovalicin 19683-98-8; C09674; Graphinone; …

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CAS Number: 19683-98-8

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) 1.40 -2.06 -11.72 1 5 0 71 296.363 4 ↓

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 0 0.00 Binding ≤ 10μM
Z80852-1-O A-431 (Epidermoid Carcinoma Cells) (cluster #1 Of 3), Other Other 7500 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM2_HUMAN P50579 Methionine Aminopeptidase 2, Human 0.4 0.63 Binding ≤ 1μM
AMPM2_HUMAN P50579 Methionine Aminopeptidase 2, Human 0.4 0.63 Binding ≤ 10μM
Z80852 Z80852 A-431 (Epidermoid Carcinoma Cells) 7500 0.34 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% )