UCSF

ZINC17072235

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 24 No

Popular Name: (9R)-2-methylsulfanyl-9-(5-nitro-2-furyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-o (9R)-2-methylsulfanyl-9-(5-nitro…

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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) 1.98 9.41 -16.77 1 9 0 119 347.356 3 ↓
Hi High (pH 8-9.5) 2.16 9.13 -40.92 0 9 -1 120 346.348 3 ↓
Mid Mid (pH 6-8) 1.69 8.34 -38.81 2 7 1 77 379.44 4 ↓
Lo Low (pH 4.5-6) 2.32 9.34 -34.35 2 9 1 124 348.364 3 ↓

Activity (Go SEA)

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