UCSF

ZINC67489548

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 Yes

Popular Name: 9-(8-methoxy-2-quinolyl)-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane 9-(8-methoxy-2-quinolyl)-1,4-dim…

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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) 2.78 7.84 -38.62 1 5 1 33 341.479 2 ↓
Hi High (pH 8-9.5) 2.78 7.65 -45.28 1 5 1 33 341.479 2 ↓
Hi High (pH 8-9.5) 2.78 5.6 -9.1 0 5 0 32 340.471 2 ↓
Mid Mid (pH 6-8) 2.78 8.21 -79.38 2 5 2 34 342.487 2 ↓

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Rings

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

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