UCSF

ZINC29320698

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 30 Yes

Popular Name: 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-(4-methoxyphenyl)pentyl]cyclopentyl]heptanoic 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2…

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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) 3.98 5.45 -57.11 3 6 -1 110 421.554 14 ↓
Lo Low (pH 4.5-6) 3.98 4.33 -18.3 4 6 0 107 422.562 14 ↓

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 290 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PF2R_HUMAN P43088 Prostanoid FP Receptor, Human 290 0.31 Binding ≤ 1μM
PF2R_HUMAN P43088 Prostanoid FP Receptor, Human 290 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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