UCSF

ZINC18166052

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 27 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-(3-fluorophenyl)acetamide 2-(4,6-dioxo-5-phenyl-4,5,6,6a-t…

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Other Names:

MFCD04045517

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) 1.56 4.3 -17.69 1 8 0 94 367.34 4 ↓
Ref Reference (pH 7) 1.56 3.96 -16.36 1 8 0 94 367.34 4 ↓
Ref Reference (pH 7) 1.56 3.96 -18.46 1 8 0 94 367.34 4 ↓

Activity (Go SEA)

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