UCSF

ZINC61409456

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 19 No

Popular Name: 2-(4-pyridylmethyl)-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-(4-pyridylmethyl)-2,4,8-triaza…

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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) -0.82 2.42 -54.06 3 6 1 79 261.305 2 ↓
Hi High (pH 8-9.5) -0.82 1.09 -7.66 2 6 0 74 260.297 2 ↓
Lo Low (pH 4.5-6) -0.82 2.88 -92.7 4 6 2 80 262.313 2 ↓

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

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