UCSF

ZINC53339742

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 24 Yes

Popular Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone 1-(1,4-dioxa-8-azaspiro[4.5]deca…

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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) 2.40 6.42 -10.98 1 6 0 67 347.44 3 ↓
Lo Low (pH 4.5-6) 2.40 6.8 -34.61 2 6 1 69 348.448 3 ↓

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

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