UCSF

ZINC40847844

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 30 No

Popular Name: 5-[(3S,5S,7S,8S,9S,10S,12S,13S,14S,17R)-3,7,12,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,1 5-[(3S,5S,7S,8S,9S,10S,12S,13S,1…

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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) 1.78 2.46 -13.07 4 6 0 111 418.53 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 60 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81247 Z81247 HeLa (Cervical Adenocarcinoma Cells) 60 0.34 Functional ≤ 10μM

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