UCSF

ZINC22779115

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 Yes

Popular Name: N-cyclopropyl-2-[4-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide N-cyclopropyl-2-[4-[(4-oxo-3H-th…

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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) 0.20 -0.07 -13.13 2 7 0 85 347.444 5 ↓
Hi High (pH 8-9.5) 0.52 4.07 -53.7 3 7 1 83 348.452 5 ↓
Mid Mid (pH 6-8) 0.20 2.15 -50.52 3 7 1 86 348.452 5 ↓
Mid Mid (pH 6-8) 0.66 -0.67 -45.23 2 7 0 89 347.444 5 ↓
Mid Mid (pH 6-8) 0.98 1.25 -47.38 2 7 0 86 347.444 5 ↓
Mid Mid (pH 6-8) 0.52 1.84 -16.41 2 7 0 81 347.444 5 ↓
Mid Mid (pH 6-8) 0.52 4.07 -52.78 3 7 1 83 348.452 5 ↓

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