UCSF

ZINC13128191

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 32 Yes

Popular Name: 2-[[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]methyl]-5-(2-furyl)-3H-thieno[3,2-e]pyrimidi 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) 1.17 6.94 -91.38 2 10 1 127 476.56 5 ↓
Mid Mid (pH 6-8) 1.63 6.89 -23.33 2 10 0 128 475.552 4 ↓
Mid Mid (pH 6-8) 1.63 6.53 -24.58 2 10 0 128 475.552 4 ↓
Mid Mid (pH 6-8) 1.17 5.48 -23.09 1 10 0 126 475.552 5 ↓
Mid Mid (pH 6-8) 1.17 7.42 -72.52 2 10 1 127 476.56 5 ↓

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

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