UCSF

ZINC42259638

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Substance Information

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

Popular Name: 2-[[[(1S)-1-(o-tolyl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1S)-1-(o-tolyl)ethyl]amino…

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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) 2.77 7.13 -55.75 3 4 1 62 300.407 4 ↓
Mid Mid (pH 6-8) 3.22 4.5 -47.4 2 4 0 65 299.399 4 ↓

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