UCSF

ZINC35626086

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 Yes

Popular Name: 2-[[4-[(1R)-1-hydroxyethyl]phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[4-[(1R)-1-hydroxyethyl]pheno…

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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) 2.07 3.38 -16.17 2 5 0 75 302.355 4 ↓
Mid Mid (pH 6-8) 2.52 1 -53.96 1 5 -1 78 301.347 4 ↓

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

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