UCSF

ZINC18093980

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 34 Yes

Popular Name: 2-[[5-cyano-4-(3-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(5-methyl-4-phenyl-thiazol-2-yl) 2-[[5-cyano-4-(3-methoxyphenyl)-…

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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) 4.75 7.59 -47.54 1 8 -1 124 488.574 7 ↓
Hi High (pH 8-9.5) 4.94 6.14 -103.83 0 8 -2 130 487.566 7 ↓
Mid Mid (pH 6-8) 5.22 8.6 -18.63 2 8 0 124 489.582 6 ↓

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

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