UCSF

ZINC62953457

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: 4-(8-azaspiro[4.5]decan-8-yl)-2-(trifluoromethyl)aniline 4-(8-azaspiro[4.5]decan-8-yl)-2-…

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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) 4.23 8 -3.09 2 2 0 29 298.352 2 ↓
Mid Mid (pH 6-8) 4.23 8.71 -34.54 3 2 1 30 299.36 2 ↓

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Rings

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

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