UCSF

ZINC62953505

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 Yes

Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-3-chloro-aniline 2-(8-azaspiro[4.5]decan-8-yl)-3-…

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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) 3.99 8.45 -2.15 2 2 0 29 264.8 1 ↓
Lo Low (pH 4.5-6) 3.99 8.11 -26.9 3 2 1 30 265.808 1 ↓

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

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