UCSF

ZINC62959213

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 Yes

Popular Name: 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-ethyl-thiazol-5-yl]-N-methyl-methanamine 1-[2-(8-azaspiro[4.5]decan-8-yl)…

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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) 3.57 8.85 -39.57 2 3 1 33 294.488 4 ↓
Hi High (pH 8-9.5) 3.57 7.41 -4.57 1 3 0 28 293.48 4 ↓

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

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