UCSF

ZINC13659244

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 Yes

Popular Name: 2-(5-cyano-4-hydroxy-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide 2-(5-cyano-4-hydroxy-6-phenyl-py…

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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) 4.74 6.91 -49.55 1 8 -1 124 462.536 7 ↓
Hi High (pH 8-9.5) 4.92 5.49 -104.28 0 8 -2 130 461.528 7 ↓
Mid Mid (pH 6-8) 5.21 7.9 -15.61 2 8 0 124 463.544 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.