UCSF

ZINC67429537

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 27 No

Popular Name: 4-[[1-(2-ethyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methyl]morpholine 4-[[1-(2-ethyl-5-nitro-phenyl)su…

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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) 2.70 6.5 -11.13 0 8 0 96 397.497 6 ↓
Mid Mid (pH 6-8) 2.70 8.49 -48.31 1 8 1 97 398.505 6 ↓

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

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