UCSF

ZINC27642684

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 36 Yes

Popular Name: (2S)-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]propanoic (2S)-3-(4-methoxyphenyl)-2-[(4-m…

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) 2.47 10.5 -42.58 1 8 0 91 495.572 13 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EDNRA-1-E Endothelin Receptor ET-A (cluster #1 Of 3), Eukaryotic Eukaryotes 5000 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EDNRA_PIG Q29010 Endothelin Receptor ET-A, Pig 5000 0.21 Binding ≤ 10μM

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