UCSF

ZINC52583505

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 28 No

Popular Name: 2-[[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl]methyl]-2,4-diazaspiro[4.7]dodecane-1,3-dione 2-[[4-[(5-methylisoxazol-3-yl)me…

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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) 2.41 4.62 -10.85 1 8 0 82 389.5 4 ↓
Mid Mid (pH 6-8) 2.41 6.9 -40.35 2 8 1 83 390.508 4 ↓

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

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