UCSF

ZINC13826348

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 18 Yes

Popular Name: dimethylBLAH dimethylBLAH

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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) 2.95 8.73 -36.6 2 2 1 20 241.358 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0180463A2; US4713457; US4720498 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD2-23-E Dopamine D2 Receptor (cluster #23 Of 24), Eukaryotic Eukaryotes 7940 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 7940 0.40 Binding ≤ 10μM

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