UCSF

ZINC67432055

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 22 Yes

Popular Name: N-[(S)-cyclopropyl-(4-methyl-2-pyridyl)methyl]-5-hydroxy-4-oxo-pyran-2-carboxamide N-[(S)-cyclopropyl-(4-methyl-2-p…

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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) 1.04 5.29 -49.68 1 6 -1 95 299.306 4 ↓
Lo Low (pH 4.5-6) 1.04 4.7 -53.23 3 6 1 94 301.322 4 ↓
Lo Low (pH 4.5-6) 1.04 4.43 -17.09 2 6 0 92 300.314 4 ↓

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

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