UCSF

ZINC42259688

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Substance Information

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

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

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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) 2.48 6.68 -55.07 3 4 1 62 304.37 4 ↓
Hi High (pH 8-9.5) 2.94 3.06 -48.39 1 4 -1 61 302.354 4 ↓
Mid Mid (pH 6-8) 2.48 5.69 -12.76 2 4 0 58 303.362 4 ↓
Mid Mid (pH 6-8) 2.94 4.05 -46 2 4 0 65 303.362 4 ↓

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