UCSF

ZINC37834376

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

Popular Name: (1R,2S)-2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)cyclopropanecarboxylic (1R,2S)-2-(2,4-dioxo-1,3,8-triaz…

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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) -0.91 1.17 -52.72 2 8 -1 119 280.26 2 ↓
Hi High (pH 8-9.5) -0.72 -1.48 -97.69 1 8 -2 125 279.252 2 ↓
Lo Low (pH 4.5-6) -0.91 -0.78 -19.65 3 8 0 116 281.268 2 ↓

Activity (Go SEA)

Rings

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