UCSF

ZINC67743147

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 23 No

Popular Name: 2-(2-amino-4-methyl-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone 2-(2-amino-4-methyl-thiazol-5-yl…

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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) 0.85 4.42 -40.91 3 6 1 67 338.501 2 ↓
Lo Low (pH 4.5-6) 0.85 7.08 -157.91 5 6 3 69 340.517 2 ↓
Lo Low (pH 4.5-6) 0.85 4.87 -74.79 4 6 2 68 339.509 2 ↓
Lo Low (pH 4.5-6) 0.85 6.62 -110.87 4 6 2 68 339.509 2 ↓

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

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