UCSF

ZINC57990464

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 29 No

Popular Name: 3-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-(p-tolyl)cyclobut-3-ene-1,2-dione 3-[2-(4-benzylpiperazin-1-yl)eth…

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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) 2.29 9.24 -73.41 1 5 0 54 390.507 6 ↓
Mid Mid (pH 6-8) 2.29 9.22 -84.73 1 5 0 54 390.507 6 ↓
Mid Mid (pH 6-8) 2.29 6.98 -7.75 0 5 0 53 389.499 6 ↓
Mid Mid (pH 6-8) 2.29 6.96 -8.39 0 5 0 53 389.499 6 ↓

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Rings

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

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