UCSF

ZINC43767144

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 31 Yes

Popular Name: 2-tert-butyl-4,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide 2-tert-butyl-4,5-dimethyl-N-[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) 4.78 11.79 -43.06 2 6 1 63 438.621 4 ↓
Mid Mid (pH 6-8) 4.78 9.43 -7.57 1 6 0 61 437.613 4 ↓

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

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