UCSF

ZINC57990448

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 26 No

Popular Name: 3-[3-[benzyl(methyl)amino]propylamino]-4-(p-tolyl)cyclobut-3-ene-1,2-dione 3-[3-[benzyl(methyl)amino]propyl…

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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) 2.66 10.57 -57.98 1 4 0 51 349.454 7 ↓
Hi High (pH 8-9.5) 2.66 8.22 -9.58 0 4 0 50 348.446 7 ↓
Hi High (pH 8-9.5) 2.66 8.25 -7.48 0 4 0 50 348.446 7 ↓
Mid Mid (pH 6-8) 2.66 10.54 -72.02 1 4 0 51 349.454 7 ↓

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

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