UCSF

ZINC67947728

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 27 Yes

Popular Name: (2S)-2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(o-tolyl)ethanone (2S)-2-(dimethylamino)-1-(3,7-di…

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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) 2.33 6.37 -42.98 1 5 1 31 373.565 3 ↓
Lo Low (pH 4.5-6) 2.33 11.25 -182.57 3 5 3 34 375.581 3 ↓
Lo Low (pH 4.5-6) 2.33 8.92 -84.63 2 5 2 32 374.573 3 ↓

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

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