UCSF

ZINC57730584

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 31 Yes

Popular Name: (3R,5S)-N,N-dicyclohexyl-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carbo (3R,5S)-N,N-dicyclohexyl-5-(1,3-…

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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) 2.94 6.41 -13.77 1 8 0 88 451.637 4 ↓
Mid Mid (pH 6-8) 2.94 6.11 -48.24 0 8 -1 90 450.629 4 ↓

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

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