UCSF

ZINC49804112

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 23 No

Popular Name: 2-(hexylsulfanyl)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile 2-(hexylsulfanyl)-4-oxo-3-azaspi…

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Other Names:

MFCD00396169

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) 4.69 8.12 -16.32 0 4 0 77 331.485 6 ↓

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

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