UCSF

ZINC13756338

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 17 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) -1.35 4.11 -55.6 3 5 -1 108 234.231 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLD2-1-E Phospholipase D2 (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.63 Functional ≤ 10μM
PLD3-1-E Phospholipase D3 (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.63 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLD2_HUMAN O14939 Phospholipase D2, Human 25 0.63 Functional ≤ 10μM
PLD3_HUMAN Q8IV08 Phospholipase D3, Human 25 0.63 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Role of phospholipids in phagocytosis
Synthesis of PA
Synthesis of PG

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