UCSF

ZINC03920361

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2005 32 No

Popular Name: 5-[5-hydroxy-4-(3-hydroxy-4-methyl-oct-1-en-6-ynyl)-6a-(5-iodopent-1-ynyl)-1,3,3a,4,5,6-hexahydropen 5-[5-hydroxy-4-(3-hydroxy-4-meth…

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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) 5.53 -0.76 -54.84 2 4 -1 80 551.485 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 5 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 5 0.36 Functional ≤ 10μM

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