UCSF

ZINC26958211

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 48 No

Popular Name: N-(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)-N'-[4-[(5R)-7,8-dihydroxy-2,3,4,5- N-(3',6'-dihydroxy-3-oxo-spiro[i…

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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) 4.13 7.32 -72.39 8 10 1 157 660.728 5 ↓
Hi High (pH 8-9.5) 4.13 8.08 -102.85 7 10 0 160 659.72 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 10000 0.15 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 10000 0.15 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (s) signalling events

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