UCSF

ZINC68885799

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 24 Yes

Popular Name: N-(8-quinolylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide N-(8-quinolylmethyl)-1,4-dioxa-8…

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Download: MOL2 SDF SMILES Flexibase

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) 2.18 5.82 -13.08 1 6 0 64 327.384 2 ↓
Lo Low (pH 4.5-6) 2.18 6.17 -37.27 2 6 1 65 328.392 2 ↓

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

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