UCSF

ZINC67967149

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 21 Yes

Popular Name: 2-(3,10-diazaspiro[5.6]dodecan-10-yl)pyridine-3-carboxylic 2-(3,10-diazaspiro[5.6]dodecan-1…

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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) 1.25 8.58 -86.61 3 5 1 74 290.387 2 ↓
Mid Mid (pH 6-8) 1.25 8.08 -77.06 2 5 0 73 289.379 2 ↓

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Rings

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

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