UCSF

ZINC12401353

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 31 Yes

Popular Name: 1-(4-chlorophenyl)-7-isobutyl-5,5-bis(trifluoromethyl)-8H-pyrimido[5,6-e]pyrimidine-2,4-dione 1-(4-chlorophenyl)-7-isobutyl-5,…

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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) 4.57 9.45 -16.98 2 6 0 79 468.785 5 ↓
Hi High (pH 8-9.5) 5.20 9.15 -30.37 1 6 -1 86 467.777 5 ↓

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

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