UCSF

ZINC62039514

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 33 Yes

Popular Name: N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-[2-[3-[(4-methylpiperazin-1-yl)methyl]phen N-(5-methyl-6,7-dihydro-4H-thiaz…

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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) 3.06 7.85 -47.14 2 7 1 66 483.687 6 ↓
Hi High (pH 8-9.5) 3.06 5.48 -14.91 1 7 0 65 482.679 6 ↓
Mid Mid (pH 6-8) 3.06 10.57 -90.6 3 7 2 67 484.695 6 ↓

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

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