UCSF

ZINC04969718

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 30 No

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

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Other Names:

MFCD14749753

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) 3.39 6.83 -14.68 1 8 0 94 405.458 5 ↓
Ref Reference (pH 7) 3.39 6.49 -13.11 1 8 0 94 405.458 5 ↓
Ref Reference (pH 7) 3.39 7.49 -22.06 1 8 0 94 405.458 5 ↓
Ref Reference (pH 7) 3.39 6.49 -15.23 1 8 0 94 405.458 5 ↓

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