UCSF

ZINC22056030

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 14 Yes

Popular Name: SELEGILINE HYDROCHLORIDE SELEGILINE HYDROCHLORIDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 14611-52-0 , 2079-54-1 , 2323-36-6 , 4528-52-3 , [14611-52-0]

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) 2.64 6.47 -3 0 1 0 3 187.286 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.54e-02 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Therapy antidepressant, MAO inhibitor, antiparkinsonian SMDC Pharmakon
Patent Database Links EP1256343; EP1561461; EP1671628; EP1693062; EP1704859; EP1733719; EP1749525; EP1834638; US2002147336; US2003026850; US2004133012; US2004176595; US2004254182; US2005009870; US2005014786; US2005080087; US2006111339; US2006258715; US2007178155; US2007190043 ChEBI

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