UCSF

ZINC22775701

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 Yes

Popular Name: 7-methyl-2-[[4-(o-tolylmethyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[2,3-b]pyrimidin-5-one 7-methyl-2-[[4-(o-tolylmethyl)pi…

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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) 1.90 8.67 -50.06 1 6 1 55 370.502 4 ↓
Mid Mid (pH 6-8) 1.90 6.68 -17.2 0 6 0 54 369.494 4 ↓
Mid Mid (pH 6-8) 1.90 9 -54.54 1 6 1 55 370.502 4 ↓
Lo Low (pH 4.5-6) 1.90 8.97 -86.66 2 6 2 56 371.51 4 ↓

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Rings

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