UCSF

ZINC65531037

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 19 Yes

Popular Name: 1-{4-nitrophenyl}-4-(4-methoxybenzoyl)piperazine 1-{4-nitrophenyl}-4-(4-methoxybe…

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Other Names:

MFCD00248249

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) 1.34 8.21 -45.42 4 6 1 75 265.385 4 ↓
Hi High (pH 8-9.5) 1.34 6.9 -7.23 3 6 0 70 264.377 4 ↓
Mid Mid (pH 6-8) 1.34 8.38 -87.99 5 6 2 76 266.393 4 ↓

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

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