UCSF

ZINC67172584

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 23 No

Popular Name: 3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione 3-(4-tert-butylphenyl)-8-ethyl-1…

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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) 4.51 8.53 -45.44 2 3 1 31 330.521 3 ↓
Hi High (pH 8-9.5) 4.51 6.32 -5.29 1 3 0 30 329.513 3 ↓

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

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