UCSF

ZINC53526452

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 18 Yes

Popular Name: 1-[2-[(4-bromo-2-thienyl)methylamino]ethyl]pyrimidine-2,4-dione 1-[2-[(4-bromo-2-thienyl)methyla…

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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) 0.89 4.32 -63.59 3 5 1 71 331.215 5 ↓
Hi High (pH 8-9.5) 1.34 0.42 -49.89 1 5 -1 70 329.199 5 ↓
Hi High (pH 8-9.5) 0.89 2.97 -13.16 2 5 0 67 330.207 5 ↓

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

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