UCSF

ZINC55043946

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 18 No

Popular Name: 9-methyl-4-oxo-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile 9-methyl-4-oxo-2-sulfanyl-3-azas…

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Other Names:

MFCD06252981

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) 1.04 3.35 -19.49 0 4 0 83 260.342 0 ↓
Mid Mid (pH 6-8) 0.86 5.13 -12.95 1 4 0 77 261.35 0 ↓

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

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