UCSF

ZINC29398194

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 33 No

Popular Name: (4aS,6aR,6bS,8aR,12aS,14aS,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,7,8,8a,14,14a,14b-deca (4aS,6aR,6bS,8aR,12aS,14aS,14bR)…

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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) 6.52 14.72 -51.81 0 3 -1 57 451.671 1 ↓
Lo Low (pH 4.5-6) 6.52 12.78 -8.45 1 3 0 54 452.679 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50594-7-O Mus Musculus (cluster #7 Of 9), Other Other 5200 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50594 Z50594 Mus Musculus 5200 0.22 Functional ≤ 10μM

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