UCSF

ZINC55491825

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 18 No

Popular Name: (11S)-8-amino-7-cyano-10-thioxo-9-azaspiro[5.5]undec-7-ene-11-carboxamide (11S)-8-amino-7-cyano-10-thioxo-…

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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) 0.26 1.58 -27.29 5 5 0 107 265.362 1 ↓
Mid Mid (pH 6-8) 0.26 1.26 -18.69 4 5 0 105 264.354 1 ↓
Mid Mid (pH 6-8) 0.26 1.15 -26.61 4 5 0 105 264.354 1 ↓

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

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