UCSF

ZINC67725380

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 22 No

Popular Name: 3-[(5S)-3,5-dimethyl-4H-isoxazole-5-carbonyl]-7-methyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(5S)-3,5-dimethyl-4H-isoxazol…

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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) -0.04 0.72 -13.08 1 7 0 74 308.382 1 ↓
Mid Mid (pH 6-8) -0.04 2.9 -51.62 2 7 1 75 309.39 1 ↓

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

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