UCSF

ZINC67743445

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

Popular Name: 6-methoxy-N-[2-[(3S)-1-methyl-3-piperidyl]ethyl]-4-oxo-1H-quinoline-3-carboxamide 6-methoxy-N-[2-[(3S)-1-methyl-3-…

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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) 0.93 6.78 -44.37 3 6 1 76 344.435 5 ↓
Hi High (pH 8-9.5) 2.23 6.64 -77.62 2 6 0 79 343.427 5 ↓

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

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