UCSF

ZINC52545374

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 21 Yes

Popular Name: N-[[5-[[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)amino]methyl]isoxazol-3-yl]methyl]propan-1-amine N-[[5-[[[(1R)-1-cyclopropylethyl…

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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) 2.33 6.9 -92.92 3 5 2 56 297.443 11 ↓
Mid Mid (pH 6-8) 2.33 5.22 -44.38 2 5 1 55 296.435 11 ↓

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

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