UCSF

ZINC19994875

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 28 No

Popular Name: (5E)-1-(4-isopropylphenyl)-5-[(2-piperazin-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4, (5E)-1-(4-isopropylphenyl)-5-[(2…

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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) 0.99 6.38 -51.79 4 7 1 87 402.544 6 ↓
Hi High (pH 8-9.5) 0.99 5.01 -11.26 3 7 0 82 401.536 6 ↓

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

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