UCSF

ZINC22358772

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 27 Yes

Popular Name: 2-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-8-methyl-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-[[(4-tert-butylphenyl)methyl-m…

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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) 2.42 8.9 -49.79 2 6 1 65 373.521 5 ↓
Mid Mid (pH 6-8) 2.79 7.74 -49.8 2 6 1 57 373.521 5 ↓
Mid Mid (pH 6-8) 2.42 6.29 -44.03 1 6 0 63 372.513 5 ↓

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

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