UCSF

ZINC65166749

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 32 Yes

Popular Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-4-piperidyl]methano 1,4-dioxa-8-azaspiro[4.5]decan-8…

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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) 1.89 10.84 -43.74 1 9 1 75 445.588 4 ↓
Mid Mid (pH 6-8) 1.89 8.62 -14.26 0 9 0 74 444.58 4 ↓

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Rings

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

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