UCSF

ZINC37328816

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 Yes

Popular Name: 2-[(2-fluoroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-fluoroanilino)methyl]-3H-t…

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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) 2.22 4.89 -13.94 2 4 0 58 275.308 3 ↓
Hi High (pH 8-9.5) 2.68 2.24 -49.97 1 4 -1 61 274.3 3 ↓

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

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