UCSF

ZINC00000652

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 19 Yes

Popular Name: Practolol Practolol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6673-35-4 , [6673-35-4]

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) 1.03 2.01 -44.82 4 5 1 75 267.349 7 ↓
Hi High (pH 8-9.5) 1.03 0.74 -11.08 3 5 0 71 266.341 7 ↓

Vendor Notes

Note Type Comments Provided By
MP 138 - 140 Enamine Building Blocks
MP 138...140 Enamine Building Blocks
ALOGPS_SOLUBILITY 4.90e-01 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Therapy beta adrenergic agonist SMDC MicroSource

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 700 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 700 0.45 Functional ≤ 10μM

Rings

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