UCSF

ZINC71550246

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 16 Yes

Popular Name: N-methyl-1-[(2R)-4-[2-(2-thienyl)ethyl]morpholin-2-yl]methanamine N-methyl-1-[(2R)-4-[2-(2-thienyl…

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Download: MOL2 SDF SMILES Flexibase

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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) 1.66 3.6 -37.36 2 3 1 29 241.38 5 ↓
Hi High (pH 8-9.5) 1.66 2.09 -4.03 1 3 0 24 240.372 5 ↓
Lo Low (pH 4.5-6) 1.66 5.88 -102.35 3 3 2 30 242.388 5 ↓

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

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