UCSF

ZINC67975283

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 25 Yes

Popular Name: 3-(4-tert-butylphenyl)sulfonyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-(4-tert-butylphenyl)sulfonyl-3…

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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) 2.17 2.12 -10.77 2 6 0 79 365.499 3 ↓
Mid Mid (pH 6-8) 2.17 3.28 -52.9 3 6 1 83 366.507 3 ↓

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Rings

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

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