UCSF

ZINC69895148

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 23 Yes

Popular Name: [4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone [4-(2-hydroxy-2-methyl-propyl)pi…

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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) 1.16 3.18 -11.42 1 6 0 70 317.389 3 ↓
Mid Mid (pH 6-8) 1.16 5.09 -46.56 2 6 1 71 318.397 3 ↓

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Rings

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

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