UCSF

ZINC04969682

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 28 No

Popular Name: 2-(4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)-N-(4-ethylphenyl)acetamide 2-(4,6-dioxo-5-phenyl-4,5,6,6a-t…

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Other Names:

MFCD14749735

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) 2.34 5.21 -12.58 1 8 0 94 377.404 5 ↓
Ref Reference (pH 7) 2.34 5.72 -15.14 1 8 0 94 377.404 5 ↓
Ref Reference (pH 7) 2.34 5.25 -14.77 1 8 0 94 377.404 5 ↓
Ref Reference (pH 7) 2.34 6.36 -22.28 1 8 0 94 377.404 5 ↓

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