UCSF

ZINC69741509

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 27 Yes

Popular Name: 5-[(1S)-6-[(3,5-dimethylisoxazol-4-yl)methyl]-6-azaspiro[2.5]octan-1-yl]-3-(3-pyridyl)-1,2,4-oxadiaz 5-[(1S)-6-[(3,5-dimethylisoxazol…

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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) 1.82 7.92 -52.83 1 7 1 82 366.445 4 ↓
Hi High (pH 8-9.5) 1.82 5.72 -13.75 0 7 0 81 365.437 4 ↓
Lo Low (pH 4.5-6) 1.82 8.37 -97.26 2 7 2 84 367.453 4 ↓

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

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