UCSF

ZINC71545891

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 17 Yes

Popular Name: (2S)-2-(4-butoxyphenyl)morpholine (2S)-2-(4-butoxyphenyl)morpholine

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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) 2.67 5.67 -43.5 2 3 1 35 236.335 5 ↓
Hi High (pH 8-9.5) 2.67 4.3 -4.42 1 3 0 30 235.327 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0659182A1; US5607934; WO1995002593A1 IBM Patent Data

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Rings

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

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