UCSF

ZINC49723095

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 22 No

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) 4.14 6.17 -36.95 4 4 1 66 307.458 11
Hi High (pH 8-9.5) 4.14 4.86 -10.77 3 4 0 61 306.45 11

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SPHK1-1-E Sphingosine Kinase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2800 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SPHK1_HUMAN Q9NYA1 Sphingosine Kinase 1, Human 2800 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Association of TriC/CCT with target proteins during biosynthesis
Sphingolipid de novo biosynthesis
VEGFR2 mediated cell proliferation

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