UCSF

ZINC52305450

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 28 Yes

Popular Name: 2-[[2-[4-[2-(allylamino)-2-oxo-ethyl]piperazin-1-yl]acetyl]-methyl-amino]-N-(5-methylisoxazol-3-yl)a 2-[[2-[4-[2-(allylamino)-2-oxo-e…

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Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) -0.16 1.59 -19.92 2 10 0 111 392.46 9 ↓
Lo Low (pH 4.5-6) -0.16 3.8 -47.44 3 10 1 112 393.468 9 ↓
Lo Low (pH 4.5-6) -0.16 3.79 -47.81 3 10 1 112 393.468 9 ↓

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