UCSF

ZINC40423223

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 29 Yes

Popular Name: (Z)-7-[(1S,2R,3R,5S)-2-[(2S)-3-(3-chlorophenoxy)-2-hydroxy-propoxy]-3,5-dihydroxy-cyclopentyl]hept-5 (Z)-7-[(1S,2R,3R,5S)-2-[(2S)-3-(…

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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) 2.51 3.88 -52.66 3 7 -1 119 427.901 12 ↓
Lo Low (pH 4.5-6) 2.51 1.9 -13.71 4 7 0 116 428.909 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PF2R-1-E Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 140 0.33 Binding ≤ 10μM
PF2R-1-E Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 62 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PF2R_BOVIN P37289 Prostanoid FP Receptor, Bovin 140 0.33 Binding ≤ 1μM
PF2R_BOVIN P37289 Prostanoid FP Receptor, Bovin 140 0.33 Binding ≤ 10μM
PF2R_MOUSE P43117 Prostaglandin F2-alpha Receptor, Mouse 62.2 0.35 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Prostanoid ligand receptors

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