UCSF

ZINC65530970

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 Yes

Popular Name: 4-nitro-3-methyl-N-(4-methylpiperazin-1-yl)benzamide 4-nitro-3-methyl-N-(4-methylpipe…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD01309676

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) 0.45 9.36 -47.89 1 7 0 80 325.372 3 ↓
Hi High (pH 8-9.5) 0.45 7.38 -58.34 0 7 -1 79 324.364 3 ↓
Mid Mid (pH 6-8) 0.45 9.71 -55.96 2 7 1 81 326.38 3 ↓

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

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