UCSF

ZINC06729315

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD14749745

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) 2.70 6.12 -15.17 1 8 0 94 391.431 4 ↓
Ref Reference (pH 7) 2.70 5.78 -13.53 1 8 0 94 391.431 4 ↓
Ref Reference (pH 7) 2.70 6.78 -22.51 1 8 0 94 391.431 4 ↓
Ref Reference (pH 7) 2.70 5.78 -15.66 1 8 0 94 391.431 4 ↓

Activity (Go SEA)

Rings

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