UCSF

ZINC65534148

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: 1-{4-chloro-2-nitrobenzoyl}-4-methylpiperazine 1-{4-chloro-2-nitrobenzoyl}-4-me…

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Other Names:

MFCD01215407

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) 2.99 5.98 -56.41 3 6 1 84 374.877 6 ↓
Mid Mid (pH 6-8) 2.99 4.62 -18.54 2 6 0 80 373.869 6 ↓

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

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