UCSF

ZINC62955058

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 No

Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-(8-azaspiro[4.5]decan-8-yl)-1-…

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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) 2.42 8.66 -34.31 1 6 0 81 291.351 4 ↓
Mid Mid (pH 6-8) 2.42 6.47 -29.79 0 6 -1 80 290.343 4 ↓
Lo Low (pH 4.5-6) 2.42 9.11 -55.69 2 6 1 83 292.359 4 ↓

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

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