UCSF

ZINC22706934

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 33 No

Popular Name: (9S)-2-benzhydrylsulfanyl-9-(2-thienyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (9S)-2-benzhydrylsulfanyl-9-(2-t…

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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) 5.72 16.97 -18.2 1 5 0 60 470.623 5 ↓
Hi High (pH 8-9.5) 5.89 16.7 -44.59 0 5 -1 61 469.615 5 ↓
Mid Mid (pH 6-8) 5.89 17.23 -30.95 2 5 1 65 471.631 5 ↓

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

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