UCSF

ZINC62654993

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 24 Yes

Popular Name: 1-(1-tert-butyl-2,5-dimethyl-pyrrol-3-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone 1-(1-tert-butyl-2,5-dimethyl-pyr…

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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) 2.31 7.21 -9.18 0 5 0 44 334.46 4 ↓
Mid Mid (pH 6-8) 2.31 9.38 -34.04 1 5 1 45 335.468 4 ↓

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

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