UCSF

ZINC13128189

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 33 Yes

Popular Name: 2-[[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]methyl]-6-phenyl-3H-thieno[3,2-e]pyrimidin-4 2-[[4-(3,5-dimethylisoxazol-4-yl…

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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) 2.23 7.88 -88.28 2 9 1 114 486.599 5 ↓
Mid Mid (pH 6-8) 2.23 6.44 -20.69 1 9 0 112 485.591 5 ↓
Mid Mid (pH 6-8) 2.23 8.36 -70.54 2 9 1 114 486.599 5 ↓

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Rings

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

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