UCSF

ZINC67739587

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 No

Popular Name: 5-methyl-9-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbonyl)-2,5,9-triazaspiro[5.5]undecan-1-one 5-methyl-9-(1-oxido-2,1,3-benzox…

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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 4.26 -62.99 2 9 1 105 346.367 1 ↓
Mid Mid (pH 6-8) 0.26 2.09 -18.39 1 9 0 104 345.359 1 ↓

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Rings

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

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