UCSF

ZINC17071430

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Substance Information

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

Popular Name: (9R)-6,6-dimethyl-2-methylsulfanyl-9-(4-pyridyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin (9R)-6,6-dimethyl-2-methylsulfan…

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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) 2.01 9.71 -16.32 1 6 0 73 341.44 2 ↓
Hi High (pH 8-9.5) 2.18 9.57 -39.37 0 6 -1 74 340.432 2 ↓
Lo Low (pH 4.5-6) 2.35 9.98 -45.56 2 6 1 77 342.448 2 ↓
Lo Low (pH 4.5-6) 2.35 9.98 -28.61 2 6 1 78 342.448 2 ↓

Activity (Go SEA)

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