UCSF

ZINC61389370

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 40 No

Popular Name: MONTELUKAST SODIUM MONTELUKAST SODIUM

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CAS Number: 151767-02-1

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) 7.88 18.64 -55.94 1 4 -1 73 571.162 11 ↓

Vendor Notes

Note Type Comments Provided By
therap leucotriene antagonist, antiasthmatic MicroSource Spectrum

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

No pre-computed analogs available. Try a structural similarity search.