UCSF

ZINC03991693

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 31 No

Popular Name: Andarine Andarine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 401900-40-1 , 885324-25-4 , [401900-40-1]

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) 2.60 -0.62 -18.24 3 9 0 133 441.362 8 ↓
Hi High (pH 8-9.5) 1.73 4.73 -26.2 2 2 1 26 149.217 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.09e-03 g/l DrugBank-experimental
Target Androgen Receptor Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-1-E Androgen Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 4 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 4 0.38 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway

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