UCSF

ZINC00948556

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 24 Yes

Popular Name: 4-[[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic-acid-methyl-ester 4-[[(4-amino-5,6-dimethyl-thieno…

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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) 4.74 -1.51 -13.09 2 5 0 78 359.476 5 ↓
Lo Low (pH 4.5-6) 4.74 -1.37 -29.73 3 5 1 79 360.484 5 ↓
Lo Low (pH 4.5-6) 4.74 -1.35 -40.29 3 5 1 79 360.484 5 ↓

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

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