UCSF

ZINC20272675

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 12 Yes

Popular Name: 5-(Piperidin-4-yl)isoxazol-3-ol 5-(Piperidin-4-yl)isoxazol-3-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 132033-91-1 , N/A

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) 0.37 0.03 -80.85 2 4 0 66 168.196 1 ↓
Lo Low (pH 4.5-6) -0.08 0.59 -62.8 3 4 1 63 169.204 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104301-6-O GABA-A Receptor; Anion Channel (cluster #6 Of 8), Other Other 9300 0.59 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 9100 0.59 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.