UCSF

ZINC00897253

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 25 Yes

Popular Name: Olopatadine hydrochloride Olopatadine hydrochloride

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CAS Numbers: 113806-05-6 , 140462-76-6

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) 3.26 12.47 -66.06 1 4 0 54 337.419 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH1-1-E Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 5 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH1_CAVPO P31389 Histamine H1 Receptor, Guinea Pig 5.2 0.46 Binding ≤ 1μM
HRH1_CAVPO P31389 Histamine H1 Receptor, Guinea Pig 5.2 0.46 Binding ≤ 10μM

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