UCSF

ZINC39267443

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 37 Yes

Popular Name: 4-[4-[6-(N,3-dimethylanilino)pyrimidin-4-yl]piperazine-1-carbonyl]-2,2,5,7-tetramethyl-indan-1-one 4-[4-[6-(N,3-dimethylanilino)pyr…

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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) 4.66 16.55 -41.11 1 7 1 71 498.651 4 ↓
Mid Mid (pH 6-8) 4.66 16.1 -13.72 0 7 0 70 497.643 4 ↓

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

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