UCSF

ZINC43845911

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 44 No

Popular Name: (7R,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2S,4S,5R,6R)-5-hydroxy-6-methyl-4-(pentylamino)tet (7R,9S)-6,9,11-trihydroxy-9-(2-h…

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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) 3.42 3.85 -55.08 7 12 1 197 614.668 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50594-1-O Mus Musculus (cluster #1 Of 9), Other Other 100 0.22 Functional ≤ 10μM
Z80088-1-O CHO (Ovarian Cells) (cluster #1 Of 4), Other Other 57 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80088 Z80088 CHO (Ovarian Cells) 420 0.20 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 100 0.22 Functional ≤ 10μM

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