UCSF

ZINC71533431

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 15 Yes

Popular Name: (2R)-2-(2-chloro-4-methoxy-phenyl)morpholine (2R)-2-(2-chloro-4-methoxy-pheny…

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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) 1.84 3.63 -40.4 2 3 1 35 228.699 2 ↓
Hi High (pH 8-9.5) 1.84 2.27 -4.17 1 3 0 30 227.691 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0267024A2; EP0267024B1; US5017724 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.