UCSF

ZINC67741454

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 24 Yes

Popular Name: 3-[2-(2-thienyl)thiazole-4-carbonyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[2-(2-thienyl)thiazole-4-carbo…

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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) 1.46 2.43 -13.88 2 6 0 74 362.48 2 ↓
Mid Mid (pH 6-8) 1.46 3.59 -52.86 3 6 1 79 363.488 2 ↓

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

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