UCSF

ZINC67172467

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 34 Yes

Popular Name: 3-(4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}benzyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione 3-(4-{2-[4-(4-fluorophenyl)piper…

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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) 3.33 11.13 -19.66 1 7 0 78 478.549 5 ↓
Mid Mid (pH 6-8) 3.79 9.3 -54.14 0 7 -1 82 477.541 5 ↓

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

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