UCSF

ZINC21367298

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2008 28 No

Popular Name: N-methyl-2-[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide N-methyl-2-[5-(4-methylphenyl)-4…

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Other Names:

MFCD14749755

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) 1.75 6.64 -15.24 0 8 0 86 377.404 4 ↓
Ref Reference (pH 7) 1.75 6.25 -13.56 0 8 0 86 377.404 4 ↓
Ref Reference (pH 7) 1.75 7.37 -22.84 0 8 0 86 377.404 4 ↓
Ref Reference (pH 7) 1.75 6.25 -15.73 0 8 0 86 377.404 4 ↓
Mid Mid (pH 6-8) 1.75 5.74 -54.51 1 8 1 87 378.412 4 ↓

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