UCSF

ZINC67727166

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 23 Yes

Popular Name: 6-(3,10-diazaspiro[5.6]dodecan-10-yl)-N-ethyl-pyridine-3-carboxamide 6-(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) 1.29 6.34 -50 3 5 1 62 317.457 3 ↓
Lo Low (pH 4.5-6) 1.29 6.62 -87.75 4 5 2 63 318.465 3 ↓

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Rings

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

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