UCSF

ZINC38159203

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 40 No

Popular Name: N-butyl-N-[[3-[4-[[(2S,5S)-1,5-dimethyl-4-octyl-3,6-dioxo-piperazin-2-yl]methyl]phenyl]phenyl]methyl N-butyl-N-[[3-[4-[[(2S,5S)-1,5-d…

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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) 6.83 18.42 -15.04 0 6 0 61 547.784 15 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FSHR-1-E Follicle Stimulating Hormone Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 35 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FSHR_HUMAN P23945 Follicle Stimulating Hormone Receptor, Human 14 0.27 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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