UCSF

ZINC13798193

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 27 Yes

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) 4.27 10.78 -11.64 1 5 0 68 355.397 5
Mid Mid (pH 6-8) 4.27 11.08 -37.53 2 5 1 69 356.405 5
Lo Low (pH 4.5-6) 4.27 10.97 -42.16 2 5 1 69 356.405 5
Lo Low (pH 4.5-6) 4.27 11.37 -98.35 3 5 2 70 357.413 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RAF1-1-E Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic Eukaryotes 320 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
RAF1_HUMAN P04049 Serine/threonine-protein Kinase RAF, Human 320 0.34 Binding ≤ 1μM
RAF1_HUMAN P04049 Serine/threonine-protein Kinase RAF, Human 320 0.34 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CREB phosphorylation through the activation of Ras
GP1b-IX-V activation signalling
MEK activation
RAF activation
RAF phosphorylates MEK
Rap1 signalling
Stimuli-sensing channels

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

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