UCSF

ZINC65531018

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 27 Yes

Popular Name: 1-{4-nitrophenyl}-4-(2-phenylbutanoyl)piperazine 1-{4-nitrophenyl}-4-(2-phenylbut…

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Other Names:

MFCD00849074

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) 2.43 7.84 -52.45 2 5 0 68 370.424 5 ↓
Hi High (pH 8-9.5) 2.43 8.6 -76.92 1 5 -1 71 369.416 5 ↓
Hi High (pH 8-9.5) 2.43 5.35 -50.64 1 5 -1 67 369.416 5 ↓
Lo Low (pH 4.5-6) 2.43 10.41 -85.06 3 5 1 69 371.432 5 ↓

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Rings

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

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