UCSF

ZINC57984559

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 29 Yes

Popular Name: 1-[2-(8-quinolyl)ethyl]-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-urea 1-[2-(8-quinolyl)ethyl]-3-spiro[…

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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) 4.57 8.6 -18.58 2 6 0 72 389.455 4 ↓
Lo Low (pH 4.5-6) 4.57 8.96 -43.04 3 6 1 74 390.463 4 ↓

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

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