UCSF

ZINC69796609

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 27 Yes

Popular Name: 4-methyl-3-(5-methylisoxazol-3-yl)-1-[[(3R)-3-(morpholinomethyl)-1-piperidyl]methyl]imidazol-2-one 4-methyl-3-(5-methylisoxazol-3-y…

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Download: MOL2 SDF SMILES Flexibase

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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) 1.12 7.2 -14.26 0 8 0 69 375.473 5 ↓
Mid Mid (pH 6-8) 1.12 9.54 -50.43 1 8 1 70 376.481 5 ↓
Mid Mid (pH 6-8) 1.12 9.19 -47.04 1 8 1 70 376.481 5 ↓
Lo Low (pH 4.5-6) 1.12 11.54 -115.82 2 8 2 71 377.489 5 ↓

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

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