UCSF

ZINC69894756

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 Yes

Popular Name: [4-[(2S)-3-ethoxy-2-hydroxy-propyl]piperazin-1-yl]-(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone [4-[(2S)-3-ethoxy-2-hydroxy-prop…

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Download: MOL2 SDF SMILES Flexibase

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) -0.39 -0.54 -15.68 1 8 0 92 348.403 6 ↓
Lo Low (pH 4.5-6) -0.39 1.66 -60.6 2 8 1 93 349.411 6 ↓

Activity (Go SEA)

Rings

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

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