UCSF

ZINC04098166

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 21 No

Popular Name: PICROTOXININ PICROTOXININ

Find On: PubMed — Wikipedia — Google

CAS Numbers: 17617-45-7 , [17617-45-7]

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) -1.21 2.83 -16.67 1 6 0 85 292.287 1 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.149 Bitter DB
M.P 203-205°C Indofine Natural Products
M.P 209.5 C Indofine Natural Products
Therapy convulsant, GABA receptor antagonist, ichthyotoxin SMDC MicroSource
SOLUBILITY Form Anamirta cocculus fruits Indofine Natural Products

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GLRA2-1-E Glycine Receptor Subunit Alpha-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 2400 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLRA2_RAT P22771 Glycine Receptor Alpha-2 Chain, Rat 2400 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ligand-gated ion channel transport

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