UCSF

ZINC26822072

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 29 Yes

Popular Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-5-(p-tolyl)pent-1-enyl]cyclopentyl]hept-5-eno (Z)-7-[(1R,2R,3R,5S)-3,5-dihydro…

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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) 3.38 6.63 -57.23 3 5 -1 101 401.523 11 ↓
Lo Low (pH 4.5-6) 3.38 5.51 -16.41 4 5 0 98 402.531 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50589-1-O Felis Catus (cluster #1 Of 2), Other Other 40 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50589 Z50589 Felis Catus 40 0.36 Functional ≤ 10μM

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