UCSF

ZINC13682754

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 23 No

Popular Name: 7-(4-methoxyphenyl)-1,3-dimethyl-5-sulfanyl-pyrimido[6,5-d]pyrimidine-2,4-dione 7-(4-methoxyphenyl)-1,3-dimethyl…

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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) 1.58 7.11 -47.52 0 7 -1 85 329.361 2 ↓
Lo Low (pH 4.5-6) 1.12 7.3 -41.39 1 7 0 82 330.369 2 ↓

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

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