UCSF

ZINC34315800

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 28 No

Popular Name: (1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11 (1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,…

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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) 4.25 10.01 -13.62 1 4 0 53 380.532 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-2-E Androgen Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 15 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_RAT P15207 Androgen Receptor, Rat 15 0.39 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway

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