UCSF

ZINC65535856

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Substance Information

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

Popular Name: 1-{4-nitro-3-methylbenzoyl}-3,5-dimethylpiperidine 1-{4-nitro-3-methylbenzoyl}-3,5-…

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Other Names:

MFCD01216569

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) 2.21 9.01 -51.2 1 6 1 58 330.408 7 ↓
Mid Mid (pH 6-8) 2.21 6.84 -13.01 0 6 0 57 329.4 7 ↓

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

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