UCSF

ZINC06729374

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 29 No

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

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Other Names:

MFCD14749795

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) 2.50 5.28 -11.89 1 8 0 94 395.394 5 ↓
Ref Reference (pH 7) 2.50 5.79 -14.33 1 8 0 94 395.394 5 ↓
Ref Reference (pH 7) 2.50 5.32 -13.56 1 8 0 94 395.394 5 ↓
Ref Reference (pH 7) 2.50 6.42 -20.6 1 8 0 94 395.394 5 ↓

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

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