UCSF

ZINC42259576

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 21 Yes

Popular Name: 2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1R)-1-(4-chlorophenyl)ethy…

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Vendors

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) 3.50 4.45 -50.94 2 4 0 65 319.817 4 ↓
Hi High (pH 8-9.5) 3.50 3.37 -47.99 1 4 -1 61 318.809 4 ↓
Mid Mid (pH 6-8) 3.04 6 -13.43 2 4 0 58 319.817 4 ↓
Mid Mid (pH 6-8) 3.04 7.09 -60.04 3 4 1 62 320.825 4 ↓

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