UCSF

ZINC71514023

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 24 No

Popular Name: 3-[3-(4-chlorophenoxy)propyl]-6-ethyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 3-[3-(4-chlorophenoxy)propyl]-6-…

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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) 4.22 10.73 -10.73 1 4 0 47 380.922 6 ↓
Hi High (pH 8-9.5) 4.68 9.46 -37.14 0 4 -1 50 379.914 6 ↓

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

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