UCSF

ZINC62958561

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-[[5-(8-azaspiro[4.5]decan-8-ylmethyl)isoxazol-3-yl]methyl]propan-2-amine N-[[5-(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) 2.82 8.91 -98.45 3 4 2 47 293.455 5 ↓
Hi High (pH 8-9.5) 2.82 7.72 -41.12 2 4 1 42 292.447 5 ↓

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

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