UCSF

ZINC28351487

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 39 No

Popular Name: 3-[1-[(4-chlorophenyl)methyl]-5-[3-fluoro-4-(m-tolyl)phenyl]-3-methyl-indol-2-yl]-2,2-dimethyl-propa 3-[1-[(4-chlorophenyl)methyl]-5-…

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) 9.02 20.34 -51.49 0 3 -1 45 539.07 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGES2-1-E Prostaglandin E Synthase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 33 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGES2_HUMAN Q9H7Z7 Prostaglandin E Synthase 2, Human 33 0.27 Binding ≤ 1μM
PGES2_HUMAN Q9H7Z7 Prostaglandin E Synthase 2, Human 33 0.27 Binding ≤ 10μM

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