UCSF

ZINC18154084

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 30 No

Popular Name: N-(4-acetylphenyl)-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-acetylphenyl)-2-[5-(4-methy…

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Other Names:

MFCD04049548

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) 1.77 5.33 -18.14 1 9 0 112 405.414 5 ↓
Ref Reference (pH 7) 1.77 4.99 -16.26 1 9 0 112 405.414 5 ↓
Ref Reference (pH 7) 1.77 6 -24.33 1 9 0 112 405.414 5 ↓

Activity (Go SEA)

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