UCSF

ZINC67956363

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 19 Yes

Popular Name: 2-[(5S)-3,7-diazaspiro[4.5]decan-3-yl]pyridine-3-carboxylic 2-[(5S)-3,7-diazaspiro[4.5]decan…

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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) 0.70 7.44 -74.35 3 5 1 74 262.333 2 ↓
Mid Mid (pH 6-8) 0.70 6.99 -60.6 2 5 0 73 261.325 2 ↓

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Rings

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

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