UCSF

ZINC00000748

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 20 Yes

Popular Name: TERTATOLOL TERTATOLOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 33580-30-2 , 34784-64-0

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) 3.22 -2.92 -40.02 3 3 1 46 296.456 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT1A-1-E Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 8 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 18.2 0.54 Binding ≤ 1μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 18.2 0.54 Binding ≤ 10μM

Rings

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