UCSF

ZINC36103664

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 Yes

Popular Name: 4-[[1-(4-isopropoxyphenyl)sulfonyl-4-piperidyl]methyl]morpholine 4-[[1-(4-isopropoxyphenyl)sulfon…

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Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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 4.9 -9.54 0 6 0 59 382.526 6 ↓
Mid Mid (pH 6-8) 2.70 6.74 -47.55 1 6 1 60 383.534 6 ↓

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Rings

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

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