UCSF

ZINC66859390

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 27 Yes

Popular Name: N-ethyl-N-[1-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]-4-piperidyl]methanesulfonamide N-ethyl-N-[1-[(2-hydroxy-7-metho…

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Download: MOL2 SDF SMILES Flexibase

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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) 3.04 5.61 -48.51 2 6 1 71 393.529 6 ↓
Hi High (pH 8-9.5) 3.04 3.36 -14.31 1 6 0 70 392.521 6 ↓
Hi High (pH 8-9.5) 3.04 6.15 -33.13 1 6 0 74 392.521 6 ↓

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

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