UCSF

ZINC42764353

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 No

Popular Name: 2-[(1S,3R)-2-methylene-3-octyl-cyclopropyl]acetic 2-[(1S,3R)-2-methylene-3-octyl-c…

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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) 5.02 10.99 -45.39 0 2 -1 40 223.336 9 ↓
Lo Low (pH 4.5-6) 5.02 9.01 -5.42 1 2 0 37 224.344 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-7-O Rattus Norvegicus (cluster #7 Of 12), Other Other 5000 0.46 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 5000 0.46 Functional ≤ 10μM

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