UCSF

ZINC00403609

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 21 No

Popular Name: Timolol maleate Timolol maleate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1214981-81-3 , 1820576-27-9 , 26839-77-0 , 26921-17-5 , 26921-17-5, 91524-16-2 [t , 26921-17-5, 91524-16-2 [timolol] , [26839-77-0]

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) 1.11 -0.82 -39.85 3 7 1 84 317.435 7 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.69e-01 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Therapy betaadrenergic blocker SMDC MicroSource
Patent Database Links EP1541175; EP1568382; EP1602334; EP1611879; EP1661558; EP1681051; EP1700601; EP1702623; EP1717226; EP1772767; EP1785144; EP1790353; EP1832576; EP1862181; EP1967186; EP1990049; GB2227664; GB2349386; US2002082300; US2002115655; US2004029771; US2004054213; U ChEBI
Purity USP24 APIChem

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