UCSF

ZINC67726425

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

Popular Name: 3-[2-(trifluoromethyl)phenyl]sulfonyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-[2-(trifluoromethyl)phenyl]sul…

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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) 1.31 1.54 -23.76 2 6 0 79 377.388 3 ↓
Mid Mid (pH 6-8) 1.31 2.71 -73.75 3 6 1 83 378.396 3 ↓

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Rings

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

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