UCSF

ZINC02759585

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 32 Yes

Popular Name: 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide 2-[(5-cyano-6-oxo-4-phenyl-1,6-d…

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Other Names:

MFCD02175315

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) 4.72 8.29 -47.32 1 7 -1 115 458.548 6 ↓
Hi High (pH 8-9.5) 4.90 8.25 -98.41 0 7 -2 121 457.54 6 ↓
Mid Mid (pH 6-8) 5.19 9.3 -15.83 2 7 0 115 459.556 5 ↓

Activity (Go SEA)

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