UCSF

ZINC59416495

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 29 Yes

Popular Name: 2-[2-[2-[2-[2-(4,4-dimethyl-5-oxo-oxazol-2-yl)ethyl-methyl-amino]ethoxy]ethyl-methyl-amino]ethyl]-4, 2-[2-[2-[2-[2-(4,4-dimethyl-5-ox…

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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) 1.81 0.6 -9.41 0 9 0 93 410.515 12 ↓
Mid Mid (pH 6-8) 1.81 3.02 -47.41 1 9 1 94 411.523 12 ↓
Lo Low (pH 4.5-6) 1.81 5.4 -114.87 2 9 2 95 412.531 12 ↓

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Rings

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

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