UCSF

ZINC28646129

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 34 Yes

Popular Name: 1-[(1S)-1-(4-fluorophenyl)-2-[4-[2-(2-naphthyl)ethyl]piperazin-1-yl]ethyl]-4-methyl-piperazine 1-[(1S)-1-(4-fluorophenyl)-2-[4-…

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) 4.89 13.86 -97.47 2 4 2 15 462.657 7 ↓
Hi High (pH 8-9.5) 4.89 9.57 -5.21 0 4 0 13 460.641 7 ↓
Hi High (pH 8-9.5) 4.89 11.6 -38.41 1 4 1 14 461.649 7 ↓
Mid Mid (pH 6-8) 4.89 11.69 -43.45 1 4 1 14 461.649 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MC4R-1-E Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 1870 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MC4R_HUMAN P32245 Melanocortin Receptor 4, Human 1870 0.24 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (s) signalling events
Peptide ligand-binding receptors

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