UCSF

ZINC67975261

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 27 Yes

Popular Name: 4-[(2,4-diethoxy-3-methyl-phenyl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane 4-[(2,4-diethoxy-3-methyl-phenyl…

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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) 3.29 8.1 -37.78 1 5 1 29 376.565 6 ↓
Mid Mid (pH 6-8) 3.29 7.56 -33.53 1 5 1 29 376.565 6 ↓
Mid Mid (pH 6-8) 3.29 10.04 -97.5 2 5 2 31 377.573 6 ↓
Lo Low (pH 4.5-6) 3.29 9.99 -99.68 2 5 2 31 377.573 6 ↓

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Rings

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

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